SCHEMBL809465

SCHEMBL809465

C/C(=C\c1c(C(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)cc1C(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
ALOX5 P09917 3/20 0.35
PTGS2 P35354 3/20 0.35
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HMGCR P04035 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 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
SCHEMBL809466 1.00 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL7204503 0.94 CYP1A2 (0.36) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL4145601 0.81 RXRA (0.35) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL4145596 0.81 RXRA (0.35) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL809386 0.81 CYP1A2 (0.44) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL7205602 0.80 SMN1; SMN2 (0.36) CYP2C9CYP2C19GABBR2GABBR1ALDH1A1
SCHEMBL27322 0.79 CYP1A2 (0.57) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL30962428 0.79 CYP1A2 (0.57) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
Acrylic Acid SCHEMBL9820576 0.79 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
Acrylic Acid SCHEMBL8878215 0.79 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP3A4 592/4885CYP2C9 1642/4885CYP2C19 616/4885

“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.