SCHEMBL2960040

SCHEMBL2960040

Cc1ccc2c(c1Br)C(c1cccc3ccccc13)C=C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 1/20 0.33
SLC6A4 P31645 5/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
DRD2 P14416 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
SCHEMBL2972733 0.84 PBRM1 (0.32) ALDH1A1
SCHEMBL2959777 0.83 KDM1A (0.33) CYP2A6ALDH1A1CYP1A2TSHRKDM1A
SCHEMBL2962011 0.81 HTR2C (0.34)
SCHEMBL2962745 0.80 CYP2A6 (0.38) CYP2A6ALDH1A1CYP1A2TSHRKDM1A
SCHEMBL2962529 0.80 KDM1A (0.37) ALDH1A1CYP1A2KDM1ASLC6A4SLC6A2
SCHEMBL2974786 0.80 TRPM2 (0.35) CYP2A6ALDH1A1CYP1A2TSHRKDM1A
SCHEMBL2971968 0.78 CYP2A6 (0.36) CYP2A6ALDH1A1CYP1A2TSHRKDM1A
SCHEMBL2965048 0.78 CYP2A6 (0.36) CYP2A6ALDH1A1CYP1A2TSHRKDM1A
SCHEMBL2961795 0.77 EGFR (0.33) CYP2A6ALDH1A1CYP1A2KDM1ASLC6A4
SCHEMBL2962881 0.76 HTR6 (0.31)

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 CYP2A6 2465/4885ALDH1A1 4332/4885CYP1A2 2409/4885

“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.