SCHEMBL2963361

SCHEMBL2963361

Brc1ccc2c(c1)CC=C2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
CYP17A1 P05093 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
PTPRC P08575 1/20 0.36
METAP1 P53582 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 1/20 0.35
TDP2 O95551 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL2972504 0.85 TDP1 (0.42) ALDH1A1MAPK1CA1CA2CA4
SCHEMBL29598333 0.78 ALDH1A1 (0.39) CYP3A4CYP17A1ALDH1A1MAPK1PTPRC
SCHEMBL170839 0.78 ALDH1A1 (0.39) CYP3A4CYP17A1ALDH1A1MAPK1PTPRC
SCHEMBL2973822 0.77 CA1 (0.38) ALDH1A1CA1CA2CA4CA6
SCHEMBL6198719 0.77 ALDH1A1 (0.43) CYP3A4CYP17A1ALDH1A1MAPK1PTPRC
SCHEMBL31414398 0.76 CYP3A4 (0.58) CYP3A4CA1CA2CA4CA6
SCHEMBL11963755 0.76 ALDH1A1 (0.32) ALDH1A1MAPK1SRD5A1SRD5A2CA1
SCHEMBL2964041 0.75 CYP3A4 (0.38) CYP3A4CYP17A1ALDH1A1METAP1TDP1
SCHEMBL2971905 0.75 PIK3R1 (0.42) CYP3A4ALDH1A1METAP1TDP1L3MBTL1
Biphenyl SCHEMBL28866208 0.75 TDP2 (0.50) ALDH1A1MAPK1SRD5A1SRD5A2CA1

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 CYP3A4 1385/4885CYP17A1 3009/4885ALDH1A1 4332/4885

“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.