SCHEMBL14712079

SCHEMBL14712079

COC(=O)C1(c2ccc(-c3ccc(Br)cc3)cc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
HDAC1 Q13547 3/20 0.44
ALDH1A1 P00352 3/20 0.42
SLC6A3 Q01959 1/20 0.41
IDO1 P14902 3/20 0.40
HDAC4 P56524 3/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL3052103 0.95 HDAC1 (0.47) HRH3HDAC1ALDH1A1HDAC4CHRM2
SCHEMBL14712065 0.94 HRH3 (0.45) HRH3HDAC1ALDH1A1SLC6A3MAPT
SCHEMBL3054538 0.92 HDAC1 (0.50) HRH3HDAC1ALDH1A1HDAC4CHRM2
SCHEMBL3049424 0.90 HDAC1 (0.51) HRH3HDAC1ALDH1A1HDAC4CHRM2
SCHEMBL349353 0.89 HDAC1 (0.42) HRH3HDAC1ALDH1A1HDAC4MAPT
SCHEMBL14790448 0.82 HDAC1 (0.43) HDAC1ALDH1A1IDO1HDAC4KDM4E
SCHEMBL1121038 0.81 HDAC1 (0.53) HDAC1ALDH1A1MAPT
SCHEMBL15348097 0.81 PDE4A (0.39) HRH3HDAC1ALDH1A1
SCHEMBL10112796 0.81 OPRM1 (0.51) HDAC1
SCHEMBL3486450 0.80 MAPT (0.51) HRH3ALDH1A1HDAC4CHRM3KDM4E

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 HRH3 140/4885HDAC1 2445/4885ALDH1A1 4135/4885

“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.