SCHEMBL2234231

SCHEMBL2234231

Cc1ccc2c(c1-c1ccc(-c3ccccc3)cc1)C=CC2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CYP3A4 P08684 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BRD4 O60885 1/20 0.31
TDO2 P48775 1/20 0.31
AKT2 P31751 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
KDM1A O60341 2/20 0.30
MAOB P27338 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2234188 0.97 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1BRD4TDO2
SCHEMBL2234401 0.84 CYP1A1 (0.33) CYP1A1CYP1A2CYP1B1HSD17B10ALDH1A1
SCHEMBL2236088 0.81 IKBKB (0.41) CYP1A1CYP1A2CYP1B1CYP3A4HSD17B10
SCHEMBL2237125 0.81 TSHR (0.34) HSD17B10KMT2AALDH1A1
SCHEMBL2234348 0.81 SYK (0.36) TDP1MAOB
SCHEMBL2238980 0.80 HEXA (0.38) MAOB
SCHEMBL2236616 0.78 MEN1 (0.33) KMT2AMAPTALDH1A1
SCHEMBL2238234 0.78 HEXA (0.36) CYP3A4ALDH1A1
SCHEMBL17060048 0.77 MAPT (0.34) CYP1A1CYP1A2CYP1B1KMT2AMAPT
SCHEMBL2236454 0.76 KIF11 (0.39) BRD4

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 CYP1A1 49/4885CYP1A2 112/4885CYP1B1 130/4885

“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.