SCHEMBL1319331

SCHEMBL1319331

COC1CCc2c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.41
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
CYP1A2 P05177 3/20 0.34
HTR1A P08908 3/20 0.33
IDO1 P14902 2/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP19A1 P11511 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 2/20 0.32
DRD3 P35462 2/20 0.32
HTR5A P47898 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
ADRA2A P08913 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
SCHEMBL12402657 1.00 GID4 (0.41) GID4DRD2DRD4DRD1DRD5
SCHEMBL15458494 1.00 GID4 (0.41) GID4DRD2DRD4DRD1DRD5
SCHEMBL23961460 0.82 CD274 (0.38)
SCHEMBL1688154 0.80 ADRA2A (0.45) DRD2DRD4CYP1A2HTR1AIDO1
SCHEMBL18347074 0.80 ADRA2A (0.45) DRD2DRD4CYP1A2HTR1AIDO1
SCHEMBL18347083 0.80 ADRA2A (0.45) DRD2DRD4CYP1A2HTR1AIDO1
SCHEMBL9456143 0.79 S1PR1 (0.42) GID4DRD2DRD4DRD1DRD5
SCHEMBL9455927 0.79 S1PR1 (0.42) GID4DRD2DRD4DRD1DRD5
SCHEMBL6055994 0.79 CYP1A1 (0.48) DRD2CYP1A2HTR1ACYP19A1DRD3
SCHEMBL1319865 0.78 ADRA1A (0.39) DRD2DRD4CYP1A2HTR1AHTR2B

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 45 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-2368896-B1 Mono-indenyl transition metal compounds and polymerization therewith EXXONMOBIL CHEM PATENTS INC (US) 2016-08-24 EP disclosed
EP-2368896-B1 Mono-indenyl transition metal compounds and polymerization therewith EXXONMOBIL CHEM PATENTS INC (US) 2016-08-24 EP disclosed
US-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 US disclosed
EP-3022233-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2016-05-25 EP disclosed
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2015-10-22 US disclosed
WO-2015009473-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-01-22 WO disclosed
EP-1833859-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-09-19 EP disclosed
EP-1833858-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2007-09-19 EP disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20070135597-A1 Heteroatom bridged 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
WO-2006065843-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065809-A2 HETEROATOM BRIDGED 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 (5 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-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 GID4 1460/4885DRD2 2627/4885DRD4 3515/4885
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX GID4 2128/4885DRD2 3040/4885DRD4 2150/4885
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 GID4 3668/4885DRD2 3134/4885DRD4 1431/4885
US-20060160967-A1 Halogen substituted metallocene compounds for olefin polymerization OR10J3, ZRANB2, SLC39A3 GID4 2912/4885DRD2 1610/4885DRD4 374/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 GID4 2390/4885DRD2 1988/4885DRD4 738/4885

“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.