SCHEMBL179186

SCHEMBL179186

Cc1cc(C)cc(N(c2ccc(C#N)cc2)c2ccc3ccc4c(N(c5ccc(C#N)cc5)c5cc(C)cc(C)c5)ccc5ccc2c3c54)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP2A6 P11509 2/20 0.37
ITK Q08881 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GFER P55789 1/20 0.31
GRM2 Q14416 1/20 0.30
HCRTR2 O43614 1/20 0.30
BRD1 O95696 1/20 0.30
BRPF1 P55201 1/20 0.30
PGR P06401 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
SCHEMBL12640516 0.92 ALDH1A1 (0.33) ALDH1A1CYP2A6ITKHRH3GRM2
SCHEMBL125668 0.91 ALDH1A1 (0.30) ALDH1A1CYP2A6
SCHEMBL179171 0.90 ALDH1A1 (0.48) ALDH1A1CYP2A6ITKKDM4EMEN1
SCHEMBL12640525 0.90 HRH3 (0.34) ALDH1A1CYP2A6ITKHRH3GRM2
SCHEMBL20175195 0.89
SCHEMBL179244 0.88 CYP2A6 (0.34) ALDH1A1CYP2A6KDM4EMEN1USP2
SCHEMBL12640472 0.86 ALDH1A1 (0.39) ALDH1A1CYP2A6ITKHRH3GRM2
SCHEMBL12640473 0.86 ALDH1A1 (0.39) ALDH1A1CYP2A6ITKHRH3GRM2
SCHEMBL12640464 0.85 MYC (0.35) ALDH1A1KDM4EHRH3PGR
SCHEMBL10354363 0.85 ALDH1A1 (0.35) ALDH1A1CYP2A6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 US disclosed
WO-2010064871-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-06-10 WO 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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 ALDH1A1 61/4885CYP2A6 1167/4885ITK 4762/4885

“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.