SCHEMBL2139729

SCHEMBL2139729

COc1cc(C)c(C(=O)O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 4/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 3/20 0.47
CA6 P23280 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
TPMT P51580 1/20 0.47
MYC P01106 1/20 0.46
HSD17B10 Q99714 4/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 3/20 0.44

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
SCHEMBL28625696 0.92 LCK (0.55) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL1505272 0.89 LCK (0.62) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL12444087 0.88 ALDH1A1 (0.56) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL6704966 0.88 LCK (0.60) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL13596372 0.88 ALDH1A1 (0.56) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL27476490 0.84 HTT (0.53) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL13434226 0.84 HTT (0.55) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL1753958 0.83 HTT (0.52) ALDH1A1HPGDKDM4ECA9HSD17B10
SCHEMBL16200306 0.82 ALDH1A1 (0.47) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL7019995 0.82 KDM4E (0.53) LCKFYNALDH1A1HPGDKDM4E

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
US-8729095-B2 3-(biaryloxy)propionic acid derivatives for prevention and/or treatment of thromboembolic diseases DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-20 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
US-20120245152-A1 3-(BIARYOXY)PROPIONIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-09-27 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
EP-2471792-A1 3-(BIARYLOXY) PROPIONIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-07-04 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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 (3 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-20120245152-A1 3-(BIARYOXY)PROPIONIC ACID DERIVATIVE F11, PF4, F2 LCK 4052/4885FYN 248/4885ALDH1A1 793/4885
US-20120322788-A1 Compouds PKD1, SBDS, ABCB11 LCK 4729/4885FYN 4512/4885ALDH1A1 155/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 LCK 3602/4885FYN 3190/4885ALDH1A1 102/4885

“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.