SCHEMBL4514589

SCHEMBL4514589

COC(=O)C1CC(=O)N(C2CCCCC2)C1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
GAA P10253 1/20 0.67
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
BRD4 O60885 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21575851 1.00 POLB (0.67) POLBGAANPSR1L3MBTL1BRD4
SCHEMBL21385730 1.00 POLB (0.67) POLBGAANPSR1L3MBTL1BRD4
SCHEMBL328967 1.00 POLB (0.67) POLBGAANPSR1L3MBTL1BRD4
SCHEMBL1461817 0.95 POLB (0.59) POLBGAANPSR1L3MBTL1BRD4
SCHEMBL17184777 0.92 BRD4 (0.62) POLBGAANPSR1L3MBTL1BRD4
SCHEMBL13806336 0.82 POLB (0.73) POLBGAANPSR1L3MBTL1ALDH1A1
SCHEMBL6115340 0.82 BRD4 (0.54) POLBGAANPSR1L3MBTL1BRD4
SCHEMBL23177789 0.80 POLB (1.00) POLBGAANPSR1L3MBTL1ALDH1A1
SCHEMBL5843614 0.80 POLB (1.00) POLBGAANPSR1L3MBTL1ALDH1A1
SCHEMBL891915 0.80 POLB (1.00) POLBGAANPSR1L3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734180-B1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES OREAL (FR) 2021-03-31 EP disclosed
US-20140294743-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2014-10-02 US disclosed
US-20140294743-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2014-10-02 US disclosed
WO-2013011094-A2 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2013-01-24 WO disclosed
WO-2013010590-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2013-01-24 WO disclosed
WO-2013001250-A2 COSMETIC COMPOSITION INCLUDING A FUNCTIONALISED OIL AND A SOLVENT, AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2013-01-03 WO disclosed
US-20120269750-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A LIPOPHILIC SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A BENZOPHENONE LIPOPHILIC SCREENING AGENT L'OREAL (FR) 2012-10-25 US disclosed
US-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2012-10-25 US disclosed
US-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2012-10-25 US disclosed
US-20120269750-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A LIPOPHILIC SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A BENZOPHENONE LIPOPHILIC SCREENING AGENT L'OREAL (FR) 2012-10-25 US disclosed
US-20100183529-A1 Cosmetic compositions comprising photostabilized dibenzoylmethane compounds and 2-pyrrolidinone-4- carboxy esters L'OREAL (FR) 2010-07-22 US disclosed
US-20100143276-A1 Ester solvents derived from 4-carboxy-2-pyrrolidinone formulated into UV-screening cosmetic compositions L'OREAL (FR) 2010-06-10 US disclosed
US-20100143276-A1 Ester solvents derived from 4-carboxy-2-pyrrolidinone formulated into UV-screening cosmetic compositions L'OREAL (FR) 2010-06-10 US disclosed
EP-2193782-A1 Cosmetic composition comprising a dibenzoylmethane derivative and a 2-pyrrolidinone-4-carboxy ester compound; method for the photostabilization of the dibenzoylmethane derivative L'Oreal (FR) 2010-06-09 EP disclosed
EP-2193783-A1 Use of an ester derived from 4-carboxy-2-pyrrolidinone as a solvent in cosmetic compositions; cosmetic compositions containing same L'Oreal (FR) 2010-06-09 EP disclosed
EP-2193784-A1 Cosmetic compositions containing an ester derivative of 2-pyrrolidinone 4-carboxy and a lipophilic triazine filter, with use of said derivative as a solvent of a lipophilic triazine filter L'OREAL (FR) 2010-06-09 EP disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 POLB 2628/4885GAA 1261/4885NPSR1 2333/4885
US-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT PYCR1, TYR, PAH POLB 1767/4885GAA 2338/4885NPSR1 4478/4885
US-20120269750-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A LIPOPHILIC SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A BENZOPHENONE LIPOPHILIC SCREENING AGENT C1S, PAH, CYP51A1 POLB 636/4885GAA 2188/4885NPSR1 3552/4885
US-20100143276-A1 Ester solvents derived from 4-carboxy-2-pyrrolidinone formulated into UV-screening cosmetic compositions FASN, ALOX12, PAH POLB 436/4885GAA 3702/4885NPSR1 4302/4885
US-20140294743-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES KRT18, LAGE3, TYR POLB 2028/4885GAA 1896/4885NPSR1 4574/4885
US-20100183529-A1 Cosmetic compositions comprising photostabilized dibenzoylmethane compounds and 2-pyrrolidinone-4- carboxy esters CYP1B1, C1S, DDT POLB 416/4885GAA 3906/4885NPSR1 3782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.