SCHEMBL2968703

SCHEMBL2968703

Cc1cc2c(cc1Br)C=CC2c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 3/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM1A O60341 1/20 0.33
SLC6A4 P31645 5/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL2962466 0.94 CYP2A6 (0.36) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2971701 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2962915 0.81 HTR2C (0.34)
SCHEMBL2960983 0.81 TDP1 (0.31) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2959780 0.81 CYP1A2 (0.33) CYP2A6ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2971252 0.80 KDM1A (0.37) CYP2A6ALDH1A1CYP1A2HPGDKDM1A
SCHEMBL2970913 0.78 KDM1A (0.36) CYP2A6ALDH1A1CYP1A2HPGDKDM1A
SCHEMBL2957722 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2967408 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2973809 0.78 KDM4E (0.38) CYP2A6SLC6A4SLC6A2SLC6A3KDM4E

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.