SCHEMBL2964720

SCHEMBL2964720

CC1=C(c2cccc3ccccc23)c2ccc(Br)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
GSK3B P49841 1/20 0.39
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
METAP1 P53582 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP2 O95551 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2A6 P11509 2/20 0.33
CA12 O43570 2/20 0.33

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
SCHEMBL2970226 0.91 TDP1 (0.38) CA1CA2CA4CA6CNR1
SCHEMBL2974856 0.79 PGR (0.37) CA1CA2CA4CA6GSK3B
SCHEMBL2959335 0.77 ESR1 (0.42) CA1CA2CA4CA6GSK3B
SCHEMBL2963720 0.75 ALDH1A1 (0.36) CA1CA2GSK3BCNR1CNR2
SCHEMBL2974436 0.73 HSD17B3 (0.35) CA1CA2CA4CA6GSK3B
SCHEMBL2959837 0.71 ESR1 (0.48) CA1CA2CA4CA6GSK3B
SCHEMBL2972164 0.71 TDP1 (0.36) METAP1TDP1L3MBTL1TDP2HTR2A
SCHEMBL2973822 0.71 CA1 (0.38) CA1CA2CA4CA6CNR1
SCHEMBL25056780 0.70 CYP2A6 (0.45) CA1CA2CNR1CNR2GPR35
SCHEMBL2965972 0.70 METAP1 (0.39) CA1CA2CA4CA6GSK3B

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 CA1 3194/4885CA2 3440/4885CA4 2199/4885

“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.