SCHEMBL5387293

SCHEMBL5387293

C1=C(P(c2ccccc2)c2ccccc2)C([Ti]c2cccc3c2Cc2ccccc2-3)c2ccccc21.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.31
APAF1 O14727 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5402372 0.94 PNMT (0.32) PNMT
SCHEMBL5384223 0.89 PNMT (0.32) PNMTAPAF1ALDH1A1GAAMAPT
SCHEMBL5390028 0.81 PNMT (0.33) PNMTRAB9A
SCHEMBL5390381 0.78 PNMT (0.31) PNMT
SCHEMBL5400228 0.78 PNMT (0.31) PNMT
SCHEMBL5384381 0.75 CYP3A4 (0.31)
SCHEMBL5386891 0.72
Hydrochloric Acid SCHEMBL5387707 0.72 PNMT (0.32) PNMT
Fluoride Ion SCHEMBL5405073 0.72 PNMT (0.32) PNMT
SCHEMBL7033609 0.71 PNMT (0.46) PNMTAPAF1ALDH1A1GAAMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US claimed
EP-1737875-A1 PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2007-01-03 EP claimed
WO-2005108410-A1 PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-17 WO claimed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US claimed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
EP-1737875-A1 PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2007-01-03 EP disclosed
WO-2005108410-A1 PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-17 WO disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 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-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 PNMT 3510/4885APAF1 3563/4885ALDH1A1 4248/4885

“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.