SCHEMBL2971196

SCHEMBL2971196

CC1=Cc2ccc(Br)cc2C1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PGR P06401 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
TDP2 O95551 1/20 0.31
ADRA2A P08913 1/20 0.30
PNMT P11086 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL2973021 0.84 ALDH1A1 (0.35) HTR2AHTR2CHTR2BPGRCA1
SCHEMBL2958740 0.75 ALDH1A1 (0.38) HTR2AHTR2CHTR2BPGRALDH1A1
SCHEMBL2964989 0.74 RAPGEF4 (0.33) ALDH1A1
SCHEMBL2975438 0.73 ALDH1A1 (0.36) HTR2AHTR2CHTR2BALDH1A1MAPK1
SCHEMBL2969973 0.73 MEN1 (0.36)
SCHEMBL2958069 0.73 ALDH1A1 (0.39) ALDH1A1MAPK1
SCHEMBL2974766 0.72 RAPGEF4 (0.34) ALDH1A1
SCHEMBL2958072 0.72 TP53 (0.35) HTR2AHTR2CHTR2BALDH1A1MAPK1
SCHEMBL17523438 0.72 HTR2A (0.40) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL2972913 0.71 MAPK1 (0.32) PGRALDH1A1MAPK1

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 2 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

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 HTR2A 2923/4885HTR2C 2725/4885HTR2B 1802/4885

“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.