SCHEMBL814128

SCHEMBL814128

[CH]1c2ccccc2-c2cc3c(cc21)CCCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CDC25B P30305 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ABCB11 O95342 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 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
SCHEMBL814285 0.98 TSHR (0.39) TSHRCDC25BL3MBTL1HPGDCYP2A6
SCHEMBL815356 0.98 TSHR (0.39) TSHRCDC25BL3MBTL1HPGDCYP2A6
SCHEMBL815314 0.98 TSHR (0.39) TSHRCDC25BL3MBTL1HPGDCYP2A6
SCHEMBL816612 0.98 TSHR (0.39) TSHRCDC25BL3MBTL1HPGDCYP2A6
SCHEMBL815252 0.98 TSHR (0.39) TSHRCDC25BL3MBTL1HPGDCYP2A6
SCHEMBL816533 0.98 TSHR (0.39) TSHRCDC25BL3MBTL1HPGDCYP2A6
SCHEMBL955380 0.98 TSHR (0.39) TSHRCDC25BL3MBTL1HPGDCYP2A6
SCHEMBL814951 0.98 TSHR (0.39) TSHRCDC25BL3MBTL1HPGDCYP2A6
SCHEMBL814369 0.96 CYP2A6 (0.39) TSHRCDC25BL3MBTL1HPGDCYP2A6
SCHEMBL815139 0.85 CDC25B (0.48) TSHRCDC25BL3MBTL1ALDH1A1ADRA2A

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 44 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-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
WO-2006065844-A2 PROCESS FOR PRODUCING 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 (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 TSHR 1993/4885CDC25B 2652/4885L3MBTL1 1195/4885
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX TSHR 2843/4885CDC25B 375/4885L3MBTL1 183/4885
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 TSHR 47/4885CDC25B 267/4885L3MBTL1 23/4885
US-20070135594-A1 Halogen substituted metallocene compounds for olefin polymerization MLX, AP1M1, AP2M1 TSHR 2259/4885CDC25B 1240/4885L3MBTL1 1354/4885
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 TSHR 1486/4885CDC25B 3021/4885L3MBTL1 326/4885
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 TSHR 4546/4885CDC25B 1833/4885L3MBTL1 2465/4885
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization ZKSCAN2, ZRANB2, ZC3H18 TSHR 1891/4885CDC25B 1983/4885L3MBTL1 2090/4885
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization OR10J3, ZRANB2, SLC39A3 TSHR 1942/4885CDC25B 2255/4885L3MBTL1 519/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 TSHR 4116/4885CDC25B 1457/4885L3MBTL1 373/4885

“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.