SCHEMBL4153743

SCHEMBL4153743

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
HSPA5 P11021 1/20 0.38
HIF1A Q16665 2/20 0.38
GABBR2 O75899 2/20 0.37
GABBR1 Q9UBS5 2/20 0.37
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TNFRSF1A P19438 1/20 0.34
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL809463 0.85 SMN1; SMN2 (0.42) CYP2C9CYP2C19SMN1; SMN2ALDH1A1CA2
SCHEMBL809483 0.83 ALDH1A1 (0.59) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL7200424 0.80 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL4220907 0.78 SMN1; SMN2 (0.49) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL475645 0.76 HSPA5 (0.63) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL4413753 0.76 HSPA5 (0.63) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL4153741 0.74 CYP2C9 (0.43) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL8781594 0.74 SMN1; SMN2 (0.37) CYP2C9CYP2C19CYP3A4TSHRSMN1; SMN2
SCHEMBL7189547 0.73 HSPA5 (0.50) CYP2C9CYP2C19SMN1; SMN2ALDH1A1CA2
SCHEMBL4158422 0.73 GAA (0.39) CYP2C9CYP2C19CYP1A2CYP3A4TSHR

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 7 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
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 CYP2C9 1642/4885CYP2C19 616/4885CYP1A2 746/4885

“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.