SCHEMBL2235892

SCHEMBL2235892

Cc1ccc2c(c1-c1cccc3ccccc13)C=C(Br)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
CYP2A6 P11509 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
FPR1 P21462 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
BRD4 O60885 1/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
TYMS P04818 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
SCHEMBL2235551 0.84 NPC1 (0.33) ALDH1A1CYP1A2CYP2C19SMN1; SMN2NPSR1
SCHEMBL2234205 0.80 ALDH1A1 (0.34) CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL6056135 0.79 HTR7 (0.38) ALDH1A1KDM4EHTTSMN1; SMN2NPSR1
SCHEMBL27839366 0.79 PNMT (0.39)
SCHEMBL2973097 0.79 DHFR (0.38) DHFRCYP2A6ALDH1A1CYP1A2KDM4E
SCHEMBL2234122 0.76 DHFR (0.35) DHFRCYP2A6ALDH1A1CYP1A2KDM4E
SCHEMBL2235659 0.76 AKT2 (0.31) KDM4EBRD4
SCHEMBL29714910 0.75 ALDH1A1 (0.41) CYP2A6ALDH1A1CYP1A2KDM4ETSHR
SCHEMBL19100121 0.75 ALDH1A1 (0.41) CYP2A6ALDH1A1CYP1A2KDM4ETSHR
SCHEMBL2237566 0.75 IKBKB (0.40) DHFRCYP2A6ALDH1A1CYP1A2KDM4E

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.