SCHEMBL2970913

SCHEMBL2970913

Brc1ccc2c(c1)C(c1cccc3ccccc13)C=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
CYP2A6 P11509 1/20 0.35
CYP1A2 P05177 2/20 0.33
SLC6A4 P31645 2/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL2971252 0.89 KDM1A (0.37) KDM1AEGFRERBB2CYP2A6CYP1A2
SCHEMBL2970909 0.85 CYP2A6 (0.39) EGFRERBB2CYP2A6CYP1A2SLC6A4
SCHEMBL2971061 0.85 CYP2A6 (0.39) EGFRERBB2CYP2A6CYP1A2SLC6A4
SCHEMBL1025256 0.82 KDM1A (0.43) KDM1ACYP2A6CYP1A2SLC6A4MAPK1
SCHEMBL2962527 0.80 ACP1 (0.33) KDM1ACYP2A6
SCHEMBL2962466 0.78 CYP2A6 (0.36) KDM1ACYP2A6CYP1A2SLC6A4SLC6A2
SCHEMBL2968703 0.78 CYP2A6 (0.36) KDM1ACYP2A6CYP1A2SLC6A4SLC6A2
SCHEMBL2966222 0.76 CYP2A6 (0.47) KDM1AEGFRERBB2CYP2A6CYP1A2
SCHEMBL2958736 0.76 HTR2C (0.34) CYP1A2MAPK1HTR2AHTR2CALDH1A1
SCHEMBL2961427 0.75 CYP2A6 (0.36) KDM1AEGFRERBB2CYP2A6CYP1A2

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 KDM1A 3280/4885EGFR 132/4885ERBB2 168/4885

“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.