SCHEMBL815116

SCHEMBL815116

[CH]1c2ccccc2-c2ccc3ccc4ccccc4c3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.39
ALDH1A1 P00352 7/20 0.39
TSHR P16473 6/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 5/20 0.39
CYP1A2 P05177 2/20 0.39
THRB P10828 1/20 0.39
DNMT1 P26358 1/20 0.38
HPRT1 P00492 2/20 0.37
MAPK1 P28482 4/20 0.36
HIF1A Q16665 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CYP3A4 P08684 3/20 0.36
CASP1 P29466 3/20 0.36
ATM Q13315 2/20 0.36
CASP7 P55210 2/20 0.36
RAB9A P51151 1/20 0.36
CYP1B1 Q16678 1/20 0.34
KEAP1 Q14145 2/20 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
SCHEMBL145793 0.86 ALDH1A1 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL216214 0.79 ALDH1A1 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL815554 0.74 ALDH1A1 (0.39) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL1029122 0.73 DNMT1 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL218380 0.71 DHFR (0.44) HSD17B10ALDH1A1TSHRCYP2A6HPGD
SCHEMBL25412675 0.71 ALDH1A1 (0.62) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL815008 0.71 ALDH1A1 (0.55) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL31171149 0.71 ALDH1A1 (0.62) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL535635 0.70 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL535472 0.70 HSD17B10 (0.72) HSD17B10ALDH1A1TSHRCYP2A6TDP1

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 32 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-7538168-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-05-26 US disclosed
US-7446216-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-11-04 US disclosed
US-20070135595-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-20070135594-A1 Halogen substituted 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-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 HSD17B10 2229/4885ALDH1A1 3259/4885TSHR 1993/4885
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX HSD17B10 3297/4885ALDH1A1 2587/4885TSHR 2843/4885
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 HSD17B10 3785/4885ALDH1A1 2182/4885TSHR 47/4885
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization MLX, AP1M1, AP2M1 HSD17B10 4194/4885ALDH1A1 1617/4885TSHR 2259/4885
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 HSD17B10 4073/4885ALDH1A1 1770/4885TSHR 1486/4885
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 HSD17B10 1530/4885ALDH1A1 767/4885TSHR 4546/4885
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization ZKSCAN2, ZRANB2, ZC3H18 HSD17B10 3004/4885ALDH1A1 1684/4885TSHR 1891/4885
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization OR10J3, ZRANB2, SLC39A3 HSD17B10 3592/4885ALDH1A1 2730/4885TSHR 1942/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 HSD17B10 1142/4885ALDH1A1 2387/4885TSHR 4116/4885

“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.