SCHEMBL10068690

SCHEMBL10068690

CCc1cc(N(c2ccc(C)cc2)c2ccc(C#N)cc2)c2ccc3c(CC)cc(N(c4ccc(C)cc4)c4ccc(C#N)cc4)c4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HCRTR2 O43614 1/20 0.39
RORC P51449 6/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
KDM1A O60341 6/20 0.33
MAOB P27338 1/20 0.33
USP14 P54578 1/20 0.32
GFER P55789 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL10068678 0.92 CYP2A6 (0.35) CYP2A6ALDH1A1HCRTR2RORCMAOB
SCHEMBL10038690 0.91 CYP2A6 (0.36) CYP2A6ALDH1A1HCRTR2RORCBCHE
SCHEMBL10068517 0.89 CYP2A6 (0.51) CYP2A6ACHEKDM1AMAOB
SCHEMBL10068694 0.89 PTGDR2 (0.39) CYP2A6RORCMAOBGFER
SCHEMBL17715228 0.86 CYP2A6 (0.34) CYP2A6MAOB
SCHEMBL10068519 0.86 KIF11 (0.44) CYP2A6RORC
SCHEMBL10068518 0.86 USP14 (0.35) CYP2A6RORCKDM1AUSP14
SCHEMBL10068677 0.85 CYP2A6 (0.47) CYP2A6ALDH1A1HCRTR2RORCBCHE
SCHEMBL25775167 0.84 PTGDR2 (0.33) ALDH1A1RORCGFER
SCHEMBL10038697 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923146-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-20 US disclosed
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-10-26 US disclosed
US-20160181527-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-9331285-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2016-05-03 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 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 (3 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 CYP2A6 1167/4885ALDH1A1 61/4885HCRTR2 4356/4885
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME H1-4, H1-2, H1-0 CYP2A6 3351/4885ALDH1A1 672/4885HCRTR2 1268/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 CYP2A6 3351/4885ALDH1A1 672/4885HCRTR2 1268/4885

“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.