SCHEMBL1837567

SCHEMBL1837567

CC(C)(C)Oc1ccccc1P(c1ccccc1)c1ccccc1OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD1 P21728 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
RIPK1 Q13546 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL30574285 0.88 KCNH2 (0.36) KCNH2KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL1838368 0.88 KCNH2 (0.36) KCNH2KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL2154131 0.83 KCNH2 (0.32) CYP3A4TDP1KCNH2KDM4EALDH1A1
SCHEMBL2155672 0.81 ALDH1A1 (0.33) TDP1KCNH2KDM4EALDH1A1HSD17B10
SCHEMBL1840267 0.81 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2KCNH2
SCHEMBL27970886 0.79 RIPK1 (0.30) RIPK1
SCHEMBL2153874 0.78 KCNH2 (0.35) KCNH2KDM4EALDH1A1HSD17B10CA12
SCHEMBL476857 0.78 CA1 (0.50) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL30992110 0.78 CA1 (0.50) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL8459532 0.76 CA1 (0.48) CYP3A4TDP1DRD1ESR1ESR2

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-0294000-A2 Novel diaryl phosphides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-12-07 EP claimed
EP-2321244-B1 IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2016-12-21 EP disclosed
US-8558030-B2 Process for telomerization of butadiene DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-15 US disclosed
US-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (Formerly known as Dow Global Technologies Inc.) (US) 2011-06-09 US disclosed
EP-2321244-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (US) 2011-05-18 EP disclosed
WO-2010019360-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES INC. (US) 2010-02-18 WO disclosed
EP-0294000-A2 Novel diaryl phosphides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-12-07 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-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE HRH3, HRH4, TELO2 CYP3A4 1711/4885TDP1 646/4885DRD1 751/4885

“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.