SCHEMBL5781007

SCHEMBL5781007

COC(=O)C1CC(=O)N(CCc2ccccc2)C1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.64
HPGD P15428 2/20 0.64
TP53 P04637 2/20 0.63
ATM Q13315 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GFER P55789 1/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.56
SMAD3 P84022 1/20 0.56

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
SCHEMBL2183180 1.00 POLB (0.68) POLBL3MBTL1HPGDTP53ATM
SCHEMBL5069460 1.00 POLB (0.68) POLBL3MBTL1HPGDTP53ATM
SCHEMBL5970008 0.86 ALDH1A1 (0.62) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2584810 0.86 ALDH1A1 (0.62) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14662009 0.85 SMN1; SMN2 (0.65) POLBL3MBTL1HPGDTP53ATM
SCHEMBL843091 0.85 SMN1; SMN2 (0.77) POLBL3MBTL1HPGDTP53ATM
SCHEMBL1263215 0.85 SMN1; SMN2 (0.77) POLBL3MBTL1HPGDTP53ATM
SCHEMBL5390794 0.85 SMN1; SMN2 (0.77) POLBL3MBTL1HPGDTP53ATM
SCHEMBL6646180 0.84 POLB (0.74) POLBL3MBTL1HPGDTP53SMN1; SMN2
SCHEMBL14990930 0.83 BRD4 (0.69) POLBL3MBTL1HPGDSMN1; SMN2KMT2A

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 27 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-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-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-2013001250-A2 COSMETIC COMPOSITION INCLUDING A FUNCTIONALISED OIL AND A SOLVENT, AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2013-01-03 WO 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-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-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
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
CN-1101908-A Angiotensin II antagonists LILLY CO ELI (US) 1995-04-26 CN disclosed
CN-86101806-A Improving one's methods of preparation antiseptic-germicide quinoline-3-carboxylic acid 1986-09-24 CN 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 (4 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-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 1767/4885L3MBTL1 3759/4885HPGD 330/4885
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 636/4885L3MBTL1 2945/4885HPGD 450/4885
US-20100143276-A1 Ester solvents derived from 4-carboxy-2-pyrrolidinone formulated into UV-screening cosmetic compositions FASN, ALOX12, PAH POLB 436/4885L3MBTL1 2813/4885HPGD 424/4885
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 2028/4885L3MBTL1 4454/4885HPGD 791/4885

“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.