SCHEMBL2956763

SCHEMBL2956763

CC1=CCc2cc(Br)cc(-c3cccc4ccccc34)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALPL P05186 1/20 0.34
GAA P10253 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TRPM2 O94759 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
BRD4 O60885 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
SCHEMBL2975302 0.80 CHEK1 (0.32) MAOAMAOB
SCHEMBL2965015 0.80 CA12 (0.36) DHFRCA12CA1CA2CA9
SCHEMBL2973870 0.80 CNR1 (0.38) DHFRCA12CA1CA2CA9
SCHEMBL2959981 0.79 DHFR (0.35) DHFRCA12CA1CA2CA9
SCHEMBL2963377 0.78 AKR1C3 (0.37) MAOBALDH1A1CYP2A6ALOX5
SCHEMBL2973639 0.76 CA12 (0.38) DHFRCA12CA1CA2CA9
SCHEMBL2962764 0.76 CA12 (0.38) DHFRCA12CA1CA2CA9
SCHEMBL2965691 0.76 DHFR (0.38) DHFRCA12CA1CA2CA9
SCHEMBL2974752 0.74 NR1H2 (0.31)
SCHEMBL2965297 0.73 CA12 (0.38) DHFRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2006065809-A2 HETEROATOM BRIDGED 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 (1 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 DHFR 3591/4885CA12 3150/4885CA1 3194/4885

“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.