SCHEMBL2967533

SCHEMBL2967533

Brc1cc(-c2cccs2)cc2c1C=CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
LTA4H P09960 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
PPARG P37231 1/20 0.33
RAB9A P51151 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ERN1 O75460 2/20 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
SCHEMBL2975205 0.76 RAB9A (0.35) ABL1BCRKDM4EMAPTPPARG
SCHEMBL2967489 0.76 KCNH2 (0.36) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2966090 0.76 CRHBP (0.46)
SCHEMBL2972505 0.75 ERN1 (0.32) ERN1HDAC3HDAC1HDAC2
SCHEMBL2963664 0.74 DPP4 (0.32) KDM4EMAPTPPARGRAB9ANCOA2
SCHEMBL21694404 0.73 KCNH2 (0.46) KCNH2CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2970582 0.71 LTK (0.32) LTA4HKDM4EMAPTTDP1HDAC1
SCHEMBL2974834 0.70 MAOB (0.33) KDM4EMAPTPPARGRAB9ANCOA2
SCHEMBL2965249 0.70 MAOB (0.33) KDM4EMAPTPPARGRAB9ANCOA2
SCHEMBL2963811 0.70 PIK3R1 (0.37) KDM4EMAPTRAB9AERN1PTPN1

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 KCNH2 3320/4885CYP2E1 2877/4885CYP3A4 1385/4885

“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.