SCHEMBL15912397

SCHEMBL15912397

Cc1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.50
AKR1C1 Q04828 3/20 0.50
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1C4 P17516 1/20 0.50
APP P05067 5/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 4/20 0.46
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
LPAR1 Q92633 2/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43

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
SCHEMBL351393 0.94 AKR1C1 (0.55) CYP2C19AKR1C1AKR1C3AKR1C2AKR1B10
SCHEMBL9685778 0.87 CYP2C19 (0.49) CYP2C19AKR1C1AKR1C3AKR1C2AKR1B10
SCHEMBL1048151 0.86 AKR1C1 (0.68) CYP2C19AKR1C1CYP2C9CYP2D6CYP1A2
SCHEMBL3485961 0.86 AKR1C1 (0.62) CYP2C19AKR1C1AKR1C3AKR1C2AKR1B10
SCHEMBL3821416 0.85 AKR1C1 (0.66) CYP2C19AKR1C1CYP2C9CYP2D6CYP1A2
SCHEMBL2860893 0.85 AKR1C1 (0.66) CYP2C19AKR1C1CYP2C9CYP2D6CYP1A2
SCHEMBL343062 0.84 AKR1C1 (0.64) CYP2C19AKR1C1AKR1C3AKR1C2AKR1B10
SCHEMBL11090558 0.81 CYP2C19 (0.48) CYP2C19AKR1C1AKR1C3AKR1C2AKR1B10
SCHEMBL6498800 0.81 OPRM1 (0.53) CYP2C19AKR1C1CYP2C9CYP2D6CYP1A2
SCHEMBL16897539 0.81 LMNA (0.60) CYP2C19AKR1C1CYP2C9CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CYP2C19 4544/4885AKR1C1 1875/4885AKR1C3 1330/4885

“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.