SCHEMBL815554

SCHEMBL815554

[CH]1c2ccccc2-c2ccc3cc4ccccc4cc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
HSD17B10 Q99714 6/20 0.39
HIF1A Q16665 4/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 4/20 0.32
CASP1 P29466 3/20 0.32
TSHR P16473 3/20 0.32
MAPK1 P28482 2/20 0.32
CASP7 P55210 2/20 0.32
CYP1A2 P05177 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4722189 0.85 ALDH1A1 (0.37) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL145793 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL813887 0.74 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL815116 0.74 HSD17B10 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL4277948 0.73 GSTP1 (0.48) ALDH1A1HSD17B10HIF1AKDM4EHPGD
SCHEMBL816687 0.72 HSD17B10 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL216214 0.71 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1AKDM4EGAA
SCHEMBL4848746 0.70 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL29532882 0.70 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL4853659 0.70 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E

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-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 US disclosed
US-20060160968-A1 Process for producing 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 ALDH1A1 3259/4885HSD17B10 2229/4885HIF1A 3911/4885
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX ALDH1A1 2587/4885HSD17B10 3297/4885HIF1A 1655/4885
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 ALDH1A1 2182/4885HSD17B10 3785/4885HIF1A 1209/4885
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization MLX, AP1M1, AP2M1 ALDH1A1 1617/4885HSD17B10 4194/4885HIF1A 3290/4885
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 ALDH1A1 1770/4885HSD17B10 4073/4885HIF1A 777/4885
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 ALDH1A1 767/4885HSD17B10 1530/4885HIF1A 2446/4885
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization ZKSCAN2, ZRANB2, ZC3H18 ALDH1A1 1684/4885HSD17B10 3004/4885HIF1A 4380/4885
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization OR10J3, ZRANB2, SLC39A3 ALDH1A1 2730/4885HSD17B10 3592/4885HIF1A 4496/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 ALDH1A1 2387/4885HSD17B10 1142/4885HIF1A 2989/4885

“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.