SCHEMBL2234632

SCHEMBL2234632

Cc1ccc2c(c1-c1cccc3ccccc13)C=CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
FPR1 P21462 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
TYMS P04818 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
SCHEMBL9319419 0.84 CYP1A2 (0.39) DHFRCYP2A6ALDH1A1KDM4ECYP1A2
SCHEMBL2238234 0.83 HEXA (0.36) ALDH1A1SMN1; SMN2TSHRCA12CA1
SCHEMBL2971247 0.82 DHFR (0.33) DHFRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2234401 0.79 CYP1A1 (0.33) DHFRCYP2A6ALDH1A1CYP1A2
SCHEMBL6056141 0.78 HTR7 (0.39) CYP2A6ALDH1A1KDM4ECYP1A2CYP2C9
Lithium SCHEMBL29767605 0.76 HTR7 (0.38) CYP2A6ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL28418857 0.76 HTR7 (0.38) CYP2A6ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL2974770 0.75 DHFR (0.36) DHFRCYP2A6ALDH1A1KDM4ECYP1A2
SCHEMBL2961422 0.75 DHFR (0.36) DHFRCYP2A6ALDH1A1KDM4ECYP1A2
SCHEMBL2960740 0.75 HTR1A (0.33) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360163-B1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN JAPAN POLYPROPYLENE CORP (JP) 2014-06-25 EP disclosed
US-8461365-B2 Metallocene complex and polymerization method of olefin JAPAN POLYPROPYLENE CORPORATION (JP) 2013-06-11 US disclosed
CN-102245620-A Metallocene complex and method for polymerizing olefin JAPAN POLYPROPYLENE CORP 2011-11-16 CN disclosed
US-20110230622-A1 METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN JAPAN POLYPROPYLENE CORPORATION (JP) 2011-09-22 US disclosed
EP-2360163-A1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN Japan Polypropylene Corporation (JP) 2011-08-24 EP 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-20110230622-A1 METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN ALOX12, ALOX15, ALOX15B DHFR 993/4885CYP2A6 917/4885ALDH1A1 477/4885

“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.