SCHEMBL809386

SCHEMBL809386

CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1C=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
GABBR2 O75899 2/20 0.39
GABBR1 Q9UBS5 2/20 0.39
TNFRSF1A P19438 1/20 0.36
PTGS2 P35354 4/20 0.36
ALOX5 P09917 3/20 0.36
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
NR5A2 O00482 1/20 0.34
NR5A1 Q13285 1/20 0.34
RXRA P19793 3/20 0.33
NR1H4 Q96RI1 1/20 0.33
RARG P13631 2/20 0.33
PPARG P37231 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL7200672 0.93 CYP3A4 (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL809463 0.87 SMN1; SMN2 (0.42) CYP2C9CYP2C19GABBR2GABBR1TNFRSF1A
SCHEMBL4157787 0.86 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
Acrylic Acid SCHEMBL8878215 0.82 CYP3A4 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
Acrylic Acid SCHEMBL9820576 0.82 CYP3A4 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL4158422 0.82 GAA (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL809466 0.81 CYP3A4 (0.43) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL809465 0.81 CYP3A4 (0.43) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL557319 0.81 RXRA (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL27322 0.80 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697393-B1 Purification of bisphenol monoester SUMITOMO CHEMICAL CO (JP) 1999-08-25 EP claimed
EP-0500323-B1 Production of bisphenol monoester SUMITOMO CHEMICAL CO (JP) 1997-01-15 EP claimed
EP-0534661-B1 Production of thermoplastic resin having high impact resistance SUMITOMO CHEMICAL CO (JP) 1997-01-15 EP claimed
EP-3331945-B1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS SABIC GLOBAL TECHNOLOGIES BV (NL) 2020-10-07 EP disclosed
US-20180223075-A1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-08-09 US disclosed
EP-3331945-A1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS SABIC Global Technologies B.V. (NL) 2018-06-13 EP disclosed
WO-2017021124-A1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-02-09 WO disclosed
US-8536258-B2 Stabilizer and method of manufacturing the same, thermoplastic polymer composition using the same, and method of stabilizing thermoplastic polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-17 US disclosed
EP-2017299-B1 Stabilizer and method of manufacturing the same, thermoplastic polymer composition using the same, and method of stabilizing thermoplastic polymer SUMITOMO CHEMICAL CO (JP) 2011-11-23 EP disclosed
US-20090030127-A1 Stabilizer and method of manufacturing the same, thermoplastic polymer composition using the same, and method of stabilizing thermoplastic polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2009-01-29 US disclosed
EP-2017299-A1 Stabilizer and method of manufacturing the same, thermoplastic polymer composition using the same, and method of stabilizing thermoplastic polymer Sumitomo Chemical Company, Limited (JP) 2009-01-21 EP 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-20180223075-A1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS AQP1, POLI, AQP3 CYP1A2 746/4885CYP3A4 592/4885CYP2C9 1642/4885

“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.