SCHEMBL2963093

SCHEMBL2963093

CC1=CC(c2ccc(C)cc2)c2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
PGR P06401 2/20 0.33
AGTR1 P30556 1/20 0.33
CACNA1D Q01668 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.30
TDP2 O95551 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL2975608 0.87 MEN1 (0.36) PGRCACNA1DMAPK1MAPTMEN1
SCHEMBL2971514 0.87 ALDH1A1 (0.39) ALDH1A1AGTR1CACNA1DSIRT2MAPK1
SCHEMBL2963692 0.80 CYP2A6 (0.44) PGRMEN1KMT2A
SCHEMBL2972321 0.79 RAPGEF4 (0.34) PGR
SCHEMBL2963096 0.75 TP53 (0.35) ALDH1A1PGRMAPK1MAPT
SCHEMBL14212634 0.75 ALDH1A1 (0.44) ALDH1A1PGRAGTR1SIRT2MAPK1
SCHEMBL2962283 0.73 MAPK1 (0.39) ALDH1A1PGRCACNA1DMAPK1MEN1
SCHEMBL2964518 0.73 HTR2C (0.34) ALDH1A1PGRMAPK1MAPT
SCHEMBL2974937 0.73 PGR (0.40) ALDH1A1PGRMAPK1TDP2
SCHEMBL2956770 0.71 CYP1A2 (0.35) ALDH1A1MAPK1MAPTTDP2MEN1

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 ALDH1A1 4332/4885PGR 3088/4885AGTR1 2600/4885

“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.