SCHEMBL3636709

SCHEMBL3636709

CCOc1cc(C=O)cc(OCC)c1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 4/20 0.49
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TACR2 P21452 1/20 0.46
FDPS P14324 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.39
TOP2A P11388 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL14397598 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL6850758 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL1121517 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL1121407 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL1121574 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL1121698 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL1121310 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL1004449 0.82 KDM4E (0.69) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL13497712 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL3572644 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1LMNAMAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338203-B2 Urea compound for antagonizing LPA1 receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2025-06-24 US disclosed
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
EP-4008405-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR Taisho Pharmaceutical Co., Ltd. (JP) 2022-06-08 EP disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN disclosed
WO-2021020429-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR 大正製薬株式会社 2021-02-04 WO disclosed
CN-101679368-A Aryl azoles, aryl diazole and benzimidizole derivatives HOFFMANN LA ROCHE 2010-03-24 CN disclosed
EP-2155718-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008148710-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINS RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 WO disclosed
WO-2008148710-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINS RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 WO disclosed
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-12-11 US disclosed
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-12-11 US disclosed
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-12-11 US disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO 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-12338203-B2 Urea compound for antagonizing LPA1 receptor LPAR1, LPAR2, LPAR3 ALDH1A1 1250/4885KDM4E 3851/4885L3MBTL1 4241/4885
US-20080306116-A1 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES SSTR5, NPY5R, SSTR3 ALDH1A1 2068/4885KDM4E 2397/4885L3MBTL1 4431/4885

“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.