SCHEMBL29633597

SCHEMBL29633597

CCOC(=O)c1cc(OCC)c(C)c(OCC)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL22946235 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4KDM4ECYP2C9HPGD
SCHEMBL29633557 0.85 TSHR (0.44) ALDH1A1CYP3A4KDM4ECYP2C9HPGD
SCHEMBL24488809 0.81 TSHR (0.40) ALDH1A1CYP3A4KDM4EHPGDTSHR
SCHEMBL31171420 0.78 TSHR (0.60) ALDH1A1CYP3A4KDM4ETSHRLMNA
SCHEMBL31171418 0.78 TSHR (0.60) ALDH1A1CYP3A4KDM4ETSHRLMNA
SCHEMBL11948619 0.76 GPR35 (0.49) ALDH1A1CYP3A4TSHRLMNACYP4F2
SCHEMBL29633542 0.76 TSHR (0.46) ALDH1A1CYP3A4KDM4ECYP2C9HPGD
SCHEMBL31634962 0.75 TDP1 (0.48) ALDH1A1CYP3A4KDM4ECYP2C9HPGD
SCHEMBL28706149 0.75 TDP1 (0.48) ALDH1A1CYP3A4KDM4ECYP2C9HPGD
SCHEMBL27248599 0.73 HSD17B10 (0.47) ALDH1A1CYP3A4KDM4ETSHRLMNA

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 4 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
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 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 (1 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 1250/4885CYP3A4 4572/4885KDM4E 3851/4885

“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.