SCHEMBL2233714

SCHEMBL2233714

Cc1ccc(C)c(-c2c(C)ccc3c2C=CC3)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
METAP1 P53582 2/20 0.33
ACHE P22303 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TYMS P04818 1/20 0.31
PDK2 Q15119 1/20 0.31
ADORA1 P30542 1/20 0.31
BRD4 O60885 1/20 0.31
HPGD P15428 3/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 2/20 0.31
RECQL P46063 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31

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
SCHEMBL2238234 0.81 HEXA (0.36) ALDH1A1ACHEPDK2ADORA1CASP3
SCHEMBL5347333 0.79 S1PR4 (0.36) ALDH1A1TDP1ACHEMAPTGAA
SCHEMBL2236616 0.78 MEN1 (0.33) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2235518 0.75 ALDH1A1 (0.32) ALDH1A1MAPTGAARECQLCASP3
SCHEMBL2234401 0.74 CYP1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL2234188 0.72 CYP1A1 (0.35) BRD4MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL2237798 0.72 CYP3A4 (0.31)
SCHEMBL27839289 0.72 DPP4 (0.39) TAAR1
SCHEMBL2234632 0.72 DHFR (0.42) ALDH1A1TYMSBRD4KDM4ESMN1; SMN2
SCHEMBL2234210 0.71 METAP1 (0.35) ALDH1A1TDP1METAP1ACHEPARP1

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 ALDH1A1 477/4885TDP1 3705/4885METAP1 1127/4885

“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.