SCHEMBL2234205

SCHEMBL2234205

Cc1ccc2c(c1-c1ccccc1-c1ccccc1)C=C(Br)C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
DPP4 P27487 1/20 0.32
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2235659 0.88 AKT2 (0.31) MAPK1L3MBTL1
SCHEMBL2235551 0.86 NPC1 (0.33) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL2236464 0.85 ALDH1A1 (0.34) ALDH1A1MAPK1HSD17B10
SCHEMBL27839366 0.81 PNMT (0.39) DPP4
SCHEMBL2235892 0.80 DHFR (0.40) ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL16394019 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1DPP4CYP2A6HSD17B10
SCHEMBL6056117 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1DPP4CYP2A6HSD17B10
SCHEMBL2237566 0.74 IKBKB (0.40) ALDH1A1CYP2A6HSD17B10NPC1TP53
SCHEMBL2234221 0.74 MEN1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL15712969 0.73 MAPT (0.33) ALDH1A1NPC1RAB9A

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-8461365-B2 Metallocene complex and polymerization method of olefin JAPAN POLYPROPYLENE CORPORATION (JP) 2013-06-11 US 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 ALDH1A1 477/4885MAPK1 2535/4885DPP4 4757/4885

“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.