SCHEMBL3926

SCHEMBL3926

CCOC(=O)C1CC1c1c(C)noc1-c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
CACNA1F O60840 1/20 0.42
ABCB1 P08183 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
HTT P42858 2/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TARBP2 Q15633 1/20 0.39
TP53 P04637 3/20 0.38
TRPV1 Q8NER1 1/20 0.37
FPR2 P25090 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL18176069 0.84 TRPV1 (0.40) ALDH1A1PKMKDM4EPOLBCACNA1F
SCHEMBL4393 0.84 NR4A2 (0.40) ALDH1A1POLBCACNA1FABCB1CACNA1D
SCHEMBL6256 0.76 TSHR (0.48) ALDH1A1PKMHTTMAPTLMNA
SCHEMBL7182 0.76 TSHR (0.48) ALDH1A1PKMHTTMAPTLMNA
SCHEMBL439856 0.76 TSHR (0.48) ALDH1A1PKMHTTMAPTLMNA
SCHEMBL6257 0.76 TSHR (0.48) ALDH1A1PKMHTTMAPTLMNA
SCHEMBL1000358 0.76 TSHR (0.48) ALDH1A1PKMHTTMAPTLMNA
SCHEMBL4402 0.74 L3MBTL1 (0.41) LMNASMN1; SMN2TSHR
SCHEMBL8243211 0.74 ALDH1A1 (0.64) ALDH1A1PKMKDM4EPOLBCACNA1F
SCHEMBL4401 0.73 LPAR1 (0.39) ALDH1A1LMNASMN1; SMN2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ALDH1A1 3990/4885PKM 1880/4885KDM4E 4003/4885

“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.