SCHEMBL4157787

SCHEMBL4157787

CC(C)c1cc(C(C)c2cc(C(C)C)cc(C(C)(C)C)c2C=CC(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
TNFRSF1A P19438 1/20 0.35
FABP3 P05413 2/20 0.35
FABP4 P15090 2/20 0.35
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
RXRA P19793 1/20 0.34
NR4A2 P43354 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
GPR55 Q9Y2T6 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
SCHEMBL809463 0.86 SMN1; SMN2 (0.42) CYP2D6MAPK1GABBR2GABBR1TNFRSF1A
SCHEMBL809386 0.86 CYP1A2 (0.44) CYP1A2GABBR2GABBR1TNFRSF1AGLRA3
SCHEMBL4158422 0.81 GAA (0.39) CYP1A2CYP2D6KDM4EMAPK1GABBR2
SCHEMBL809764 0.81 CYP1A2 (0.54) CYP1A2CYP2D6KDM4EFABP3FABP4
SCHEMBL7200672 0.79 CYP3A4 (0.37) CYP1A2KDM4EMAPK1GABBR2GABBR1
SCHEMBL7200424 0.79 SMN1; SMN2 (0.45) KDM4EMAPK1GABBR2GABBR1TNFRSF1A
SCHEMBL7203636 0.75 PTGS2 (0.39) CYP1A2CYP2D6KDM4EMAPK1GABBR2
SCHEMBL4157783 0.73 CYP1A2 (0.40) CYP1A2CYP2D6GABBR2GABBR1FABP3
SCHEMBL1087552 0.73 GABRA1 (0.59) CYP1A2CYP2D6KDM4EFABP3FABP4
SCHEMBL557319 0.72 RXRA (0.38) CYP1A2MAPK1RXRACYP3A4CYP2C9

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 6 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

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 746/4885CYP2D6 676/4885KDM4E 2276/4885

“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.