SCHEMBL2958110

SCHEMBL2958110

Oc1cccc2c1CC=C2c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
PTPN1 P18031 1/20 0.39
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALPL P05186 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
POLB P06746 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
NSD2 O96028 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL2964290 0.80 PTPN1 (0.39) CYP1A2CA1CA2PTPN1GAA
SCHEMBL2973983 0.79 PTPN1 (0.38) PTPN1GAAKDM4EALPLNISCH
SCHEMBL2971069 0.79 PTPN1 (0.38) PTPN1GAAKDM4EALPLNISCH
SCHEMBL2960942 0.77 HPGD (0.47) CYP1A2CA1CA2CA4CA6
SCHEMBL2963474 0.74 DRD1 (0.36) CA1CA2PTPN1MCL1ACMSD
SCHEMBL30214159 0.72 CYP1A2 (0.65) CYP1A2CA1CA2MCL1ACMSD
SCHEMBL217637 0.72 CYP1A2 (0.65) CYP1A2CA1CA2MCL1ACMSD
SCHEMBL631770 0.70 CYP1A2 (0.62) CYP1A2CA1CA2MCL1ACMSD
SCHEMBL13851701 0.70 PARP1 (0.40) CA1CA2CA4CA6KDM4E
SCHEMBL29587504 0.70 CYP1A2 (0.62) CYP1A2CA1CA2MCL1ACMSD

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 7 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-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
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
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
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 CYP1A2 2409/4885CA1 3194/4885CA2 3440/4885

“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.