SCHEMBL71922

SCHEMBL71922

CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.73
ESR1 P03372 4/20 0.73
USP2 O75604 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
MEN1 O00255 2/20 0.73
MAPT P10636 2/20 0.73
CASP1 P29466 2/20 0.73
KMT2A Q03164 2/20 0.73
TP53 P04637 1/20 0.73
PGR P06401 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
AR P10275 1/20 0.73
DRD1 P21728 1/20 0.73
PTGS1 P23219 1/20 0.73
SLC6A2 P23975 1/20 0.73
PDE4A P27815 1/20 0.73
MAPK1 P28482 1/20 0.73
SLC6A4 P31645 1/20 0.73
OPRM1 P35372 1/20 0.73
DRD3 P35462 1/20 0.73

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
SCHEMBL16656147 0.93 CYP3A4 (0.66) CYP3A4ESR1USP2SMN1; SMN2MEN1
SCHEMBL27365508 0.89 CYP3A4 (0.61) CYP3A4ESR1USP2SMN1; SMN2MEN1
SCHEMBL27365471 0.88 CYP3A4 (0.60) CYP3A4ESR1USP2SMN1; SMN2MEN1
SCHEMBL9814995 0.87 KLF10 (0.68) CYP3A4ESR1USP2SMN1; SMN2MEN1
SCHEMBL5964677 0.87 CYP3A4 (0.65) CYP3A4ESR1USP2SMN1; SMN2MEN1
SCHEMBL8163543 0.87 MAPT (0.59) CYP3A4ESR1USP2SMN1; SMN2MEN1
SCHEMBL28120786 0.86 CYP3A4 (0.63) CYP3A4ESR1USP2SMN1; SMN2MEN1
Clofoctol SCHEMBL147809 0.85 CYP3A4 (1.00) CYP3A4ESR1USP2SMN1; SMN2MEN1
Clofoctol SCHEMBL29397347 0.85 CYP3A4 (1.00) CYP3A4ESR1USP2SMN1; SMN2MEN1
SCHEMBL15880430 0.84 CYP2D6 (0.61) CYP3A4ESR1USP2SMN1; SMN2MEN1

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-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-5922671-A MILD AND ENVIRONMENTALLY BENIGN ANIONIC SURFACTANTS FOR CLEANING COMPOSITIONS RHODIA INC. (US) 1999-07-13 US disclosed
US-5710121-A POLYOXYETHYLENE GLYCOL MODIFIED ALKYLENE DIPHENOL WITH SULFATE, PHOSPHATE GROUPS FOR SHAMPOO, SOAPS, GELS, LOTIONS OR DETERGENTS RHONE-POULENC INC. (US) 1998-01-20 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CYP3A4 2028/4885ESR1 1265/4885USP2 2928/4885

“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.