SCHEMBL769208

SCHEMBL769208

CCCCCCc1ccc(-c2ccc(-c3cccc(C#N)c3C#N)s2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.33
S1PR1 P21453 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
SCHEMBL1164401 0.79 KDM4E (0.44) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL10005493 0.77 KDM4E (0.34) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL14423852 0.77 ESR1 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL12622287 0.77 ESR1 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL13619686 0.77 ESR1 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL7946100 0.77 ESR1 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL13566515 0.77 ESR1 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL13349086 0.77 ESR1 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2032335 0.77 ESR1 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL6524717 0.77 ESR1 (0.39) KDM4EMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 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-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B KDM4E 2337/4885MEN1 284/4885ALDH1A1 761/4885

“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.