SCHEMBL22945638

SCHEMBL22945638

CCCc1cc(OCC)cc(C(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ CREBBP Q92793 2/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ BRD2 P25440 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL16954956 0.86 ALDH1A1 (0.42) ALDH1A1CREBBPBRD4BRD2KMT2A
SCHEMBL9701615 0.84 KMT2A (0.59) ALDH1A1CREBBPBRD4BRD2KMT2A
SCHEMBL16960917 0.82 ALDH1A1 (0.39) ALDH1A1CREBBPBRD4BRD2KMT2A
SCHEMBL16962556 0.81 ALDH1A1 (0.39) ALDH1A1CREBBPBRD4BRD2KMT2A
SCHEMBL16958869 0.80 THRB (0.39) ALDH1A1CREBBPBRD4BRD2KMT2A
SCHEMBL9525522 0.77 CA5A (0.57) ALDH1A1CREBBPBRD4BRD2KMT2A
SCHEMBL20239499 0.77 KMT2A (0.54) ALDH1A1CREBBPBRD4BRD2KMT2A
SCHEMBL13870392 0.77 RXRA (0.42) ALDH1A1KMT2ACNR1CNR2THRB
SCHEMBL16950414 0.77 CNR1 (0.41) ALDH1A1CNR1CNR2MAPTCYP3A4
SCHEMBL22946249 0.76 PARP10 (0.58) ALDH1A1CREBBPBRD4BRD2KMT2A

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 6 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

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 1250/4885CREBBP 933/4885BRD4 2938/4885

“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.

Send feedback