SCHEMBL14794645

SCHEMBL14794645

Cc1noc(-c2ccc(C3(C(=O)O)CC3)cc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.53
CYP2C9 P11712 3/20 0.53
ABCC3 O15438 1/20 0.53
ABCC4 O15439 1/20 0.53
ABCB11 O95342 1/20 0.53
CYP2C8 P10632 1/20 0.53
ABCB4 P21439 1/20 0.53
ABCC2 Q92887 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKR1C1 Q04828 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 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
SCHEMBL9939475 0.99 LPAR1 (0.54) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL14794646 0.87 LPAR1 (0.47) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL342705 0.84 OPRM1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL12973618 0.84 LPAR1 (0.52) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL14711012 0.84 AKR1C3 (0.42) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL9939476 0.83 LPAR1 (0.54) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL24042834 0.82 ALDH1A1 (0.40) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL343870 0.81 ABCC3 (0.43) LPAR1CYP2C9ABCC3ABCC4ABCB11
Benzene SCHEMBL13720144 0.81 LPAR1 (0.48) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL1610 0.81 CYP2C9 (0.51) LPAR1CYP2C9ABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 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-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 LPAR1 1/4885CYP2C9 2528/4885ABCC3 4001/4885

“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.