SCHEMBL13010086

SCHEMBL13010086

CC1=CC(=Nc2ccc(Cl)cc2)C=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
MPI P34949 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
GALR3 O60755 1/20 0.36
IDO1 P14902 1/20 0.36
EP300 Q09472 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RBBP9 O75884 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 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
SCHEMBL13525236 0.81 MAPT (0.38) MAPTLMNAGAAMPIHTT
SCHEMBL1783165 0.81 MAPT (0.38) MAPTLMNAGAAMPIHTT
SCHEMBL13525196 0.78 CA12 (0.41) MAPTLMNAGAAMPIHTT
SCHEMBL13525206 0.77 TXNRD1 (0.57) MAPTLMNAGAAMPIHTT
SCHEMBL16775347 0.72 CYP2C9 (0.39) MAPTLMNAGAAMPIHTT
SCHEMBL13525197 0.72 CYP3A4 (0.41) MAPTLMNAGAAMPIHTT
SCHEMBL13525184 0.72 KMT2A (0.41) MAPTLMNAGAAMPIHTT
SCHEMBL5518152 0.71 MAPT (0.45) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL13525207 0.68 ALDH1A1 (0.37) MAPTLMNAGAAMPIHTT
SCHEMBL11838277 0.68 ALDH1A1 (0.39) MAPTLMNAGAAMPIHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1788037-B1 Titanylphthalocyanin crystal, method for preparing the same, and electrophotographic photoreceptor KYOCERA MITA CORP (JP) 2013-01-02 EP disclosed
US-7855286-B2 Titanyl phthalocyanin crystal, method for preparing the same and electrophotographic photoconductor KYOCERA MITA CORPORATION (JP) 2010-12-21 US disclosed
US-7855286-B2 Titanyl phthalocyanin crystal, method for preparing the same and electrophotographic photoconductor KYOCERA MITA CORPORATION (JP) 2010-12-21 US disclosed
US-20100081073-A1 Titanyl phthalocyanin crystal, method for preparing the same and electrophotographic photoconductor KYOCERA MITA CORPORATION 2010-04-01 US disclosed
US-20100081073-A1 Titanyl phthalocyanin crystal, method for preparing the same and electrophotographic photoconductor KYOCERA MITA CORPORATION 2010-04-01 US disclosed
EP-1788037-A1 Titanylphthalocyanin crystal, method for preparing the same, and electrophotographic photoreceptor Kyocera Mita Corporation (JP) 2007-05-23 EP disclosed
US-20070111123-A1 Titanyl phthalocyanin crystal, method for preparing the same and electrophotographic photoconductor KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2007-05-17 US disclosed
US-20070111123-A1 Titanyl phthalocyanin crystal, method for preparing the same and electrophotographic photoconductor KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2007-05-17 US 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-20070111123-A1 Titanyl phthalocyanin crystal, method for preparing the same and electrophotographic photoconductor CRYZ, CRYAA, CRYAB AGTR1 2510/4885MAPT 213/4885LMNA 4446/4885

“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.