SCHEMBL815008

SCHEMBL815008

[CH]1c2c(ccc3ccccc23)-c2ccc3ccccc3c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
CYP2A6 P11509 5/20 0.55
HSD17B10 Q99714 4/20 0.55
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPRT1 P00492 1/20 0.50
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
DNMT1 P26358 1/20 0.43
CYP1A2 P05177 5/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
PAX8 Q06710 1/20 0.41
HPGD P15428 3/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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 0.84 ALDH1A1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL816687 0.81 HSD17B10 (0.41) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL816534 0.78 DNMT1 (0.44) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL401275 0.74 ALDH1A1 (0.55) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL30932938 0.73 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29358486 0.73 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29477074 0.73 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL8873977 0.73 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL7643 0.73 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL1330750 0.73 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672675-A1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-09-20 EP claimed
US-5451649-A Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-09-19 US claimed
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
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US 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-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2012-08-09 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-20070135593-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-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
EP-1123938-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 2001-08-16 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 (10 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 3259/4885CYP2A6 1173/4885HSD17B10 2229/4885
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX ALDH1A1 2587/4885CYP2A6 1099/4885HSD17B10 3297/4885
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 ALDH1A1 2182/4885CYP2A6 1983/4885HSD17B10 3785/4885
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization MLX, AP1M1, AP2M1 ALDH1A1 1617/4885CYP2A6 2692/4885HSD17B10 4194/4885
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 ALDH1A1 1770/4885CYP2A6 2303/4885HSD17B10 4073/4885
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 ALDH1A1 767/4885CYP2A6 331/4885HSD17B10 1530/4885
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization ZKSCAN2, ZRANB2, ZC3H18 ALDH1A1 1684/4885CYP2A6 1331/4885HSD17B10 3004/4885
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization OR10J3, ZRANB2, SLC39A3 ALDH1A1 2730/4885CYP2A6 1207/4885HSD17B10 3592/4885
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 ALDH1A1 3259/4885CYP2A6 1173/4885HSD17B10 2229/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 ALDH1A1 2387/4885CYP2A6 518/4885HSD17B10 1142/4885

“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.