SCHEMBL2234210

SCHEMBL2234210

Cc1ccc(C)c(-c2c(C)ccc3c2C=C(Br)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.35
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
TYMS P04818 1/20 0.30
PDK2 Q15119 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
SCHEMBL2235551 0.83 NPC1 (0.33) ADORA1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2235082 0.77 NPC1 (0.30) ALDH1A1
SCHEMBL2235659 0.74 AKT2 (0.31) TDP1MAPTKMT2A
SCHEMBL2235465 0.74
SCHEMBL2235892 0.74 DHFR (0.40) ALDH1A1ACHETYMS
SCHEMBL2234932 0.74 ALDH1A1 (0.35) METAP1ALDH1A1TDP1MEN1MAPT
SCHEMBL2236464 0.72 ALDH1A1 (0.34) ALDH1A1TDP1TAAR1
SCHEMBL2236190 0.72 CYP1A1 (0.34) ALDH1A1MEN1MAPTKMT2AHTR2A
SCHEMBL2236889 0.72 RXRB (0.33) MAPT
SCHEMBL2233714 0.71 ALDH1A1 (0.34) METAP1ADORA1ALDH1A1TDP1ACHE

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 4 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
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 METAP1 1127/4885ADORA1 4646/4885ALDH1A1 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.