SCHEMBL2964270

SCHEMBL2964270

CC1=Cc2cc3ccccc3c(Br)c2C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
NCEH1 Q6PIU2 1/20 0.30

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
SCHEMBL2962966 0.80 HTR2A (0.33) POLBALDH1A1KDM4E
SCHEMBL2971578 0.77 ALDH1A1 (0.35) POLBALDH1A1HPGDKDM4EGAA
SCHEMBL2968189 0.76 CYP2D6 (0.31) ALDH1A1HPGD
SCHEMBL2968729 0.75 CYP1A2 (0.36) CYP1A2CYP2A6POLBALDH1A1HSD17B10
SCHEMBL2970307 0.74 HTR7 (0.34) CYP1A2CYP2A6POLBALDH1A1HPGD
SCHEMBL2974976 0.73 ALDH1A1 (0.35) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL2962336 0.73 ALDH1A1 (0.35) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL2970981 0.73 KDM4E (0.34) CYP1A2CYP2A6ALDH1A1KDM4EGAA
SCHEMBL2962487 0.72 CNR1 (0.36) CYP1A2CYP2A6ALDH1A1KDM4E
SCHEMBL3056466 0.72 ALDH1A1 (0.41) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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 CYP1A2 2409/4885CYP2A6 2465/4885POLB 2658/4885

“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.