SCHEMBL2964136

SCHEMBL2964136

Brc1ccc2c(c1)CC(c1ccccc1)=C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP19A1 P11511 3/20 0.35
TRPA1 O75762 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
PNMT P11086 1/20 0.33
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
DCLK1 O15075 1/20 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
SCHEMBL2967620 0.86 TRPA1 (0.45) CYP11B1CYP11B2ALDH1A1MAPK1CYP19A1
SCHEMBL6055985 0.78 CYP11B1 (0.40) CYP11B1CYP11B2ALDH1A1CYP19A1TRPA1
SCHEMBL16516818 0.78 CYP11B2 (0.53) CYP11B1CYP11B2ALDH1A1MAPK1CYP19A1
SCHEMBL319265 0.77 CYP11B2 (0.65) CYP11B1CYP11B2CYP19A1TRPA1HTR2A
SCHEMBL31608568 0.77 CYP11B2 (0.65) CYP11B1CYP11B2CYP19A1TRPA1HTR2A
SCHEMBL31666281 0.75 CYP11B2 (0.62) CYP11B1CYP11B2CYP19A1TRPA1HTR2A
SCHEMBL2966220 0.74 CA1 (0.38) ALDH1A1TDP1L3MBTL1SLC6A2HTR2A
SCHEMBL2964034 0.73 PIK3R1 (0.42) ALDH1A1TDP1L3MBTL1CSNK1D
SCHEMBL2965031 0.73 KMT2A (0.35) CYP11B1CYP11B2ALDH1A1TRPA1TDP1
SCHEMBL2973732 0.73 ALDH1A1 (0.37) ALDH1A1MAPK1TRPA1SLC6A2HTR2A

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 CYP11B1 3696/4885CYP11B2 3583/4885ALDH1A1 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.