SCHEMBL15912401

SCHEMBL15912401

Cc1ccc2c(c1)CCCc1cc(C3(C(=O)O)CC3)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.48
AKR1C2 P52895 5/20 0.48
AKR1C1 Q04828 4/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1C4 P17516 1/20 0.48
APP P05067 7/20 0.44
CYP2C19 P33261 5/20 0.44
CYP3A4 P08684 5/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2D6 P10635 2/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
RXRA P19793 1/20 0.42
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 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
SCHEMBL1465052 0.79 ALDH1A1 (0.52) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL14711695 0.79 SRD5A1 (0.55) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL20424696 0.77 APP (0.48) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL351393 0.75 AKR1C1 (0.55) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL23589306 0.73 HTT (0.50) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL20424832 0.73 HTT (0.50) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL1561226 0.73 HDAC4 (0.59) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL1048151 0.72 AKR1C1 (0.68) AKR1C1CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL3485961 0.72 AKR1C1 (0.62) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL8847829 0.71 AKR1C1 (0.52) AKR1C3AKR1C2AKR1C1APPCYP2C19

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 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.