SCHEMBL4158422

SCHEMBL4158422

CCCc1cc(C(C)c2cc(CCC)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
GAA P10253 4/20 0.39
KMT2A Q03164 4/20 0.39
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
MEN1 O00255 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TNFRSF1A P19438 1/20 0.33

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
SCHEMBL7203636 0.84 PTGS2 (0.39) KMT2AGABBR2GABBR1MEN1CYP1A2
SCHEMBL4157320 0.83 GAA (0.46) GAAKMT2AGABBR2GABBR1MEN1
SCHEMBL809386 0.82 CYP1A2 (0.44) GABBR2GABBR1CYP1A2CYP3A4TSHR
SCHEMBL809463 0.82 SMN1; SMN2 (0.42) KMT2AGABBR2GABBR1ALDH1A1CYP2D6
SCHEMBL4157787 0.81 CYP1A2 (0.39) GAAKMT2AGABBR2GABBR1CYP1A2
SCHEMBL4158421 0.77 GAA (0.41) GAAKMT2AGABBR2GABBR1MEN1
SCHEMBL7200672 0.75 CYP3A4 (0.37) KMT2AGABBR2GABBR1CYP1A2CYP3A4
SCHEMBL7200424 0.75 SMN1; SMN2 (0.45) GAAKMT2AGABBR2GABBR1ALDH1A1
SCHEMBL3678954 0.75 GAA (0.43) GAAKMT2AGABBR2GABBR1MEN1
SCHEMBL557319 0.74 RXRA (0.38) KMT2AMEN1CYP1A2CYP3A4TSHR

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 GAA 4369/4885KMT2A 3160/4885GABBR2 2208/4885

“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.