SCHEMBL16477199

SCHEMBL16477199

Bc1ccc(C2=CCC(C(=O)OCC)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CDK9 P50750 2/20 0.43
CCNT1 O60563 1/20 0.43
RORC P51449 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL15897676 0.86 ALDH1A1 (0.46) ALOX15TSHRMAPK1CDK9CCNT1
SCHEMBL2511600 0.86 CDK9 (0.52) ALOX15TSHRMAPK1CDK9CCNT1
SCHEMBL38657760 0.86 ALOX15 (0.43) ALOX15TSHRMAPK1CDK9CCNT1
SCHEMBL2511601 0.86 CDK9 (0.52) ALOX15TSHRMAPK1CDK9CCNT1
SCHEMBL2508847 0.86 ATM (0.47) ALOX15TSHRMAPK1CDK9CCNT1
SCHEMBL2508849 0.86 ATM (0.47) ALOX15TSHRMAPK1CDK9CCNT1
SCHEMBL14755669 0.84 PARP10 (0.44) ALOX15TSHRMAPK1CDK9CCNT1
SCHEMBL20588753 0.84 CDK9 (0.41) ALOX15TSHRMAPK1CDK9CCNT1
SCHEMBL14496839 0.84 CDK9 (0.47) ALOX15TSHRMAPK1CDK9CCNT1
SCHEMBL8993502 0.83 ALDH1A1 (0.48) ALOX15TSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALOX15 183/4885TSHR 449/4885MAPK1 2787/4885

“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.