SCHEMBL14711693

SCHEMBL14711693

N#CCc1ccc2c(c1)CCc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.45
SRD5A2 P31213 1/20 0.45
CTSC P53634 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CES1 P23141 1/20 0.39
TSHR P16473 2/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ENPP2 Q13822 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP3 P08254 1/20 0.37
KMT2A Q03164 2/20 0.36

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
SCHEMBL11680913 0.86 TSHR (0.53) SRD5A2RAB9ANPC1TSHRALDH1A1
SCHEMBL26516378 0.85 MEN1 (0.50) SRD5A1SRD5A2CTSCRAB9ANPC1
SCHEMBL4814660 0.81 CASP1 (0.49)
SCHEMBL11187151 0.80 L3MBTL1 (0.55) RAB9ANPC1CES1ALDH1A1ENPP2
SCHEMBL3452505 0.79 NPC1 (0.46) SRD5A2RAB9ANPC1TSHRALDH1A1
SCHEMBL29809412 0.78 SRD5A1 (0.47) SRD5A1SRD5A2RAB9ANPC1CES1
SCHEMBL16064651 0.78 SRD5A1 (0.51) SRD5A1SRD5A2RAB9ANPC1CES1
SCHEMBL21758076 0.78 RAB9A (0.52) SRD5A1SRD5A2RAB9ANPC1CES1
SCHEMBL16044075 0.78 SRD5A1 (0.47) SRD5A1SRD5A2RAB9ANPC1CES1
SCHEMBL24503039 0.78 CTSC (0.46) SRD5A1SRD5A2CTSCRAB9ANPC1

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 5 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-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
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 SRD5A1 2482/4885SRD5A2 2554/4885CTSC 441/4885

“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.