SCHEMBL2970596

SCHEMBL2970596

[CH]1c2ccccc2-c2cccc(-c3cc4ccccc4s3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.46
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PRKDC P78527 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
NQO1 P15559 1/20 0.38
NQO2 P16083 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ERN1 O75460 2/20 0.36
PIK3R1 P27986 1/20 0.36

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
SCHEMBL2965843 0.86 NQO1 (0.41) APPHSD17B1HSD17B2CA1CA2
SCHEMBL19133572 0.78 APP (0.57) APPHSD17B1HSD17B2CA1CA2
SCHEMBL12854022 0.77 APP (0.55) APPHSD17B1HSD17B2CA1CA2
SCHEMBL27989389 0.74 APP (0.57) APPHSD17B1HSD17B2CA1CA2
SCHEMBL31070704 0.74 NQO1 (0.54) APPHSD17B1HSD17B2CA1CA2
SCHEMBL398852 0.74 APP (0.58) APPHSD17B1HSD17B2CA1CA2
SCHEMBL12405297 0.74 APP (0.53) APPHSD17B1HSD17B2CA1CA2
SCHEMBL4868139 0.74 NQO1 (0.54) APPHSD17B1HSD17B2CA1CA2
SCHEMBL2973611 0.73 APP (0.41) APPHSD17B1HSD17B2CA1CA2
SCHEMBL29732980 0.72 APP (0.63) APPHSD17B1HSD17B2CA1CA2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-7214746-B2 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 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 (3 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-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL APP 885/4885HSD17B1 4586/4885HSD17B2 4658/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 APP 1739/4885HSD17B1 4456/4885HSD17B2 4476/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 APP 3128/4885HSD17B1 3201/4885HSD17B2 2984/4885

“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.