SCHEMBL2236088

SCHEMBL2236088

Cc1ccc2c(c1-c1ccc3ccccc3c1)C=CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
CYP2A6 P11509 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.34
GSTP1 P09211 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 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
SCHEMBL2234231 0.81 CYP1A1 (0.34) TDP1CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL2234188 0.81 CYP1A1 (0.35) CYP1A2SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2236616 0.76 MEN1 (0.33) ALDH1A1SMN1; SMN2MAPT
SCHEMBL2234348 0.76 SYK (0.36) TDP1ESR2SMN1; SMN2HPGDCA1
SCHEMBL2233327 0.75 LMNA (0.33)
SCHEMBL2235980 0.75 CYP1A1 (0.36) CYP2A6TDP1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL2237566 0.74 IKBKB (0.40) IKBKBCYP2A6TDP1CYP1A2GSTP1
SCHEMBL2236454 0.74 KIF11 (0.39) IKBKBHDAC4HDAC2HDAC8
SCHEMBL2237798 0.74 CYP3A4 (0.31) CYP3A4
SCHEMBL2234632 0.73 DHFR (0.42) CYP2A6CYP1A2ALDH1A1SMN1; SMN2CYP2C9

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 IKBKB 3916/4885CYP2A6 917/4885TDP1 3705/4885

“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.