SCHEMBL603698

SCHEMBL603698

[CH2]CCC(C)CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL221838 0.87
SCHEMBL20610035 0.83 LMNA (0.56) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL9403620 0.83 LMNA (0.56) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL632397 0.82 LMNA (0.68) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL386229 0.82 LMNA (0.68) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL238312 0.82 LMNA (0.68) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL1193294 0.82 LMNA (0.68) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL4808363 0.81 LMNA (0.43) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL11238093 0.81 LMNA (0.30) LMNA
SCHEMBL2701 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846739-B2 TGR5 agonists EXELIXIS PATENT COMPANY LLC (US) 2014-09-30 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
WO-2014100021-A1 TGR5 AGONISTS: IMIDAZOLE AND TRIAZOLE COMPOUNDS CONTAINING A QUATERNARY NITROGEN EXELIXIS, INC. (US) 2014-06-26 WO disclosed
WO-2014100025-A1 TGR5 AGONISTS HAVING AN IMIDAZOLE OR TRIAZOLE CORE WITH SUBTITUENT HAVING A QUATERNARY NITROGEN EXELIXIS, INC. (US) 2014-06-26 WO disclosed
US-20130303505-A1 TGR5 AGONISTS EXELIXIS PATENT COMPANY LLC 2013-11-14 US disclosed
CN-102372810-B Method for preparing isomonoolefin-multiolefin copolymer CHINA PETROLEUM & CHEMICAL 2013-10-09 CN disclosed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
CN-102372822-B Method for preparing isomonoolefin-multiolefin copolymer CHINA PETROLEUM & CHEMICAL 2013-06-12 CN disclosed
EP-0478545-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1992-04-08 EP disclosed
WO-1991004028-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1991-04-04 WO disclosed
EP-0413706-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1991-02-27 EP disclosed
EP-0218207-B1 USE OF COMPLEX ESTERS IN SYNTHETIC LUBRICANTS, AND LUBRICANTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1990-01-10 EP disclosed
WO-1989008647-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1989-09-21 WO disclosed
EP-0170076-B1 HEAT TRANSFER FLUIDS BASF Aktiengesellschaft (DE) 1988-10-26 EP disclosed
WO-1988002366-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1988-04-07 WO disclosed
EP-0218207-A2 Use of complex esters in synthetic lubricants, and lubricants containing them BASF Aktiengesellschaft (DE) 1987-04-15 EP disclosed
EP-0170076-A1 Heat transfer fluids BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed
US-3944577-A Novel pregnane-21-oic acid derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1976-03-16 US 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 (2 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 LMNA 4206/4885MEN1 1681/4885CYP3A4 2623/4885
US-20130303505-A1 TGR5 AGONISTS GCGR, NPY5R, TBXA2R LMNA 2547/4885MEN1 4002/4885CYP3A4 894/4885

“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.