SCHEMBL4153741

SCHEMBL4153741

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 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 0.39
HIF1A Q16665 2/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 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
SCHEMBL809462 0.85 SMN1; SMN2 (0.44) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL809483 0.84 ALDH1A1 (0.59) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL4220904 0.76 SMN1; SMN2 (0.49) CYP2C9CYP2C19CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL475644 0.75 HSPA5 (0.65) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL31049994 0.75 HSPA5 (0.65) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL4153743 0.74 CYP2C9 (0.42) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL2671373 0.74 CYP2C9 (0.40) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL4158421 0.73 GAA (0.41) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL6393196 0.72 CYP2C9 (0.43) CYP2C9CYP2C19TSHRCYP1A2CYP3A4
SCHEMBL70420 0.72 CYP2C9 (0.58) CYP2C9CYP2C19TSHRCYP1A2CYP3A4

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 616/4885TSHR 3227/4885

“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.