SCHEMBL4157783

SCHEMBL4157783

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
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
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL809385 0.86 CYP3A4 (0.45) CYP1A2GLRA3GLRBCYP3A4CYP2C9
SCHEMBL809462 0.86 SMN1; SMN2 (0.44) CYP1A2CYP2D6GLRA3GLRBCYP3A4
SCHEMBL809764 0.82 CYP1A2 (0.54) CYP1A2CYP2D6FABP3FABP4GLRA3
SCHEMBL4158421 0.81 GAA (0.41) CYP1A2CYP2D6GLRA3GLRBCYP3A4
SCHEMBL1087552 0.74 GABRA1 (0.59) CYP1A2CYP2D6FABP3FABP4GLRA3
SCHEMBL4157787 0.73 CYP1A2 (0.39) CYP1A2CYP2D6FABP3FABP4GLRA3
SCHEMBL28812510 0.72 CYP3A4 (0.40) CYP1A2GLRA3GLRBCYP3A4CYP2C9
SCHEMBL557318 0.72 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2671775 0.72 CYP1A2 (0.38) CYP1A2CYP2D6FABP3FABP4GLRA3
SCHEMBL31049995 0.72 CYP1A2 (0.34) 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 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 676/4885FABP3 3208/4885

“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.