SCHEMBL14711012

SCHEMBL14711012

Cc1noc(-c2ccc3c(c2)CCc2cc(C4(C(=O)O)CC4)ccc2-3)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.42
AKR1C2 P52895 6/20 0.42
AKR1C1 Q04828 3/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1C4 P17516 1/20 0.42
CYP2C9 P11712 6/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
ABCB4 P21439 1/20 0.41
LPAR1 Q92633 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
APP P05067 8/20 0.40
CYP2C19 P33261 6/20 0.39
CYP3A4 P08684 6/20 0.39
CYP2D6 P10635 3/20 0.39
PSEN1 P49768 1/20 0.38

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
SCHEMBL14711003 0.90 ABCC3 (0.37) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL14790743 0.88 S1PR1 (0.33) CYP2C9ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14794645 0.84 LPAR1 (0.53) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL14790744 0.84 ABCC3 (0.32) CYP2C9ABCC3ABCC4ABCB11CYP2C8
SCHEMBL9939475 0.83 LPAR1 (0.54) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL14711010 0.79 ALDH1A1 (0.41) CYP2C9ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14709687 0.78 AKR1B1 (0.44) LPAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL15897186 0.77 S1PR1 (0.41) LPAR1
SCHEMBL14711014 0.76 LPAR1 (0.77) CYP2C9ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14710473 0.76 LPAR1 (0.77) CYP2C9ABCC3ABCC4ABCB11CYP2C8

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 AKR1C3 1330/4885AKR1C2 1426/4885AKR1C1 1875/4885

“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.