SCHEMBL8071707

SCHEMBL8071707

CCCCOc1ccc(C(=O)OCC)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
HSD17B2 P37059 1/20 0.56
ESR1 P03372 7/20 0.56
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
NR1H2 P55055 1/20 0.53
RNASEL Q05823 1/20 0.53
NPC1 O15118 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL13529206 0.96 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL27734000 0.94 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2312401 0.94 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL11340705 0.94 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL13693079 0.93 ESR1 (0.65) ESR1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL13529205 0.93 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL13529210 0.88 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8358255 0.88 CYP1A2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1990526 0.88 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL643931 0.87 CA12 (0.60) CA12CA1CA2CA7CA9

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-2890686-B1 METHOD FOR PRODUCING OXAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-01-04 EP disclosed
US-9181205-B2 Method for producing oxazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
US-20150239855-A1 Method for Producing Oxazole Compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-27 US disclosed
WO-2014034958-A1 METHOD FOR PRODUCING OXAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-06 WO disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056575-A1 Anesthetic Compounds SIGNATURE THERAPEUTICS, INC. 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
WO-2009036055-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 US disclosed
WO-2008011539-A2 ANESTHETIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-01-24 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 (4 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-20150239855-A1 Method for Producing Oxazole Compound OXA1L, CYB5R3, CBR3 CA12 596/4885CA1 949/4885CA2 318/4885
US-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY KDR, HDAC1, FLT4 CA12 2762/4885CA1 3453/4885CA2 2413/4885
US-20100056575-A1 Anesthetic Compounds OPRL1, OPRM1, CYP3A5 CA12 493/4885CA1 22/4885CA2 38/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 CA12 977/4885CA1 804/4885CA2 168/4885

“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.