SCHEMBL2962068

SCHEMBL2962068

CC1C=Cc2cc3ccccc3c(Br)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL2965502 0.80 POLB (0.35) POLB
SCHEMBL24832152 0.78 POLB (0.33) CYP2A6CYP1A2POLBHCRTR1HCRTR2
SCHEMBL2966146 0.77 CYP1A2 (0.35) CYP1A2POLB
SCHEMBL2972559 0.75 ALDH1A1 (0.34) CYP2A6POLBALDH1A1
SCHEMBL2972335 0.73 ALDH1A1 (0.35) CYP2A6CYP1A2ALDH1A1HIF1ACYP1B1
SCHEMBL2967461 0.73 POLB (0.34) CYP2A6CYP1A2POLBALDH1A1HIF1A
SCHEMBL2957224 0.73 ALDH1A1 (0.35) CYP2A6CYP1A2ALDH1A1HIF1ACYP1B1
SCHEMBL2970108 0.73 CNR1 (0.37) CYP2A6ALDH1A1
SCHEMBL2963226 0.70 CYP1A2 (0.37) CYP2A6CYP1A2ALDH1A1HSD17B10
SCHEMBL2971829 0.68 DHFR (0.35) CYP2A6CYP1A2ALDH1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO 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 CYP2A6 2465/4885CYP1A2 2409/4885POLB 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.