SCHEMBL816475

SCHEMBL816475

[CH]1c2ccccc2-c2c1ccc1c2CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
CES1 P23141 6/20 0.40
CYP2A6 P11509 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KIF11 P52732 1/20 0.33
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
TSHR P16473 2/20 0.32
BCHE P06276 1/20 0.32
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL817177 0.96 CES1 (0.44) PARP1CES1CYP2A6MAOAMAOB
SCHEMBL814983 0.95 CES1 (0.42) PARP1CES1CYP2A6MAOAMAOB
SCHEMBL813996 0.95 CES1 (0.42) PARP1CES1CYP2A6MAOAMAOB
SCHEMBL815039 0.95 CES1 (0.42) PARP1CES1CYP2A6MAOAMAOB
SCHEMBL814798 0.95 CES1 (0.42) PARP1CES1CYP2A6MAOAMAOB
SCHEMBL814015 0.95 CES1 (0.42) PARP1CES1CYP2A6MAOAMAOB
SCHEMBL816141 0.95 CES1 (0.42) PARP1CES1CYP2A6MAOAMAOB
SCHEMBL822204 0.95 CES1 (0.42) PARP1CES1CYP2A6MAOAMAOB
SCHEMBL813799 0.95 CES1 (0.42) PARP1CES1CYP2A6MAOAMAOB
SCHEMBL953470 0.78 CES1 (0.53) PARP1CES1KIF11BCL2L1BAD

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539993-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2019-09-18 EP disclosed
EP-3022233-B1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-05-01 EP disclosed
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-08 US disclosed
US-9834628-B2 Cyclopropyl substituted metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-12-05 US disclosed
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
EP-3022233-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2016-05-25 EP disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
WO-2015009473-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-01-22 WO disclosed
US-20150025207-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2015-01-22 US disclosed
US-8546595-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS, INC. 2007-06-14 US disclosed
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-08-17 US disclosed
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 US disclosed
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065843-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065906-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO 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 (8 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-20070135623-A1 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization OPRM1, POLM, AP1M1 PARP1 106/4885CES1 4170/4885CYP2A6 1173/4885
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX PARP1 2479/4885CES1 4417/4885CYP2A6 1099/4885
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 PARP1 4458/4885CES1 1918/4885CYP2A6 1983/4885
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization MLX, AP1M1, AP2M1 PARP1 490/4885CES1 4576/4885CYP2A6 2692/4885
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 PARP1 807/4885CES1 4295/4885CYP2A6 2303/4885
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 PARP1 157/4885CES1 2865/4885CYP2A6 331/4885
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization OR10J3, ZRANB2, SLC39A3 PARP1 611/4885CES1 4775/4885CYP2A6 1207/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 PARP1 1272/4885CES1 2580/4885CYP2A6 518/4885

“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.