SCHEMBL22945777

SCHEMBL22945777

CCOc1cc(C(C)=O)cc(OCC)c1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.54
TSHR P16473 3/20 0.53
CYP3A4 P08684 1/20 0.53
LMNA P02545 2/20 0.47
CA9 Q16790 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL24488912 0.89 CREBBP (0.49) CREBBPTSHRCYP3A4LMNACA9
SCHEMBL22946106 0.88 CREBBP (0.47) CREBBPTSHRCYP3A4LMNACA9
SCHEMBL22946252 0.87 CREBBP (0.50) CREBBPTSHRCYP3A4LMNACA9
SCHEMBL24488756 0.87 TSHR (0.59) CREBBPTSHRCYP3A4LMNAMAPK1
SCHEMBL29633566 0.85 TSHR (0.47) CREBBPTSHRCYP3A4LMNACA9
SCHEMBL28715368 0.85 CREBBP (0.51) CREBBPTSHRCYP3A4LMNAMAPK1
SCHEMBL22946087 0.84 CREBBP (0.54) CREBBPTSHRCYP3A4LMNAMAPK1
SCHEMBL13446665 0.84 TSHR (0.70) CREBBPTSHRCYP3A4LMNAHTT
SCHEMBL22946040 0.84 TSHR (0.53) CREBBPTSHRCYP3A4CA9MAPK1
SCHEMBL22945788 0.84 LMNA (0.51) CREBBPTSHRCYP3A4LMNASMN1; SMN2

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 7 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
US-20230097871-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US 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

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 CREBBP 933/4885TSHR 733/4885CYP3A4 4572/4885
US-20230097871-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR LPAR1, LPAR2, LPAR3 CREBBP 933/4885TSHR 733/4885CYP3A4 4572/4885

“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.