SCHEMBL10069235

SCHEMBL10069235

CC(C)c1cc(N(c2ccc(C#N)cc2)c2ccc(C#N)cc2)c2ccc3c(C(C)C)cc(N(c4ccc(C#N)cc4)c4ccc(C#N)cc4)c4ccc1c2c34

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.33
RORC P51449 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
SCHEMBL10068685 0.95 CRHBP (0.35) RORC
SCHEMBL17933033 0.95 CRHBP (0.35) RORC
SCHEMBL10069125 0.95 USP14 (0.32)
SCHEMBL10069131 0.95 ALDH1A1 (0.42) CYP2A6RORCALDH1A1
SCHEMBL12040841 0.93 PTGDR2 (0.35)
SCHEMBL10068831 0.92 CYP2A6 (0.47) CYP2A6RORCCHRNB2CHRNB4CHRNA3
SCHEMBL10068832 0.92 ALDH1A1 (0.33) CYP2A6ALDH1A1
SCHEMBL17682967 0.92 TRPV1 (0.30) TRPV1
SCHEMBL10069127 0.91 KIF11 (0.43) RORC
SCHEMBL17933036 0.90 CA1 (0.33) RORC

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 7 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-20160211459-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 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 1167/4885RORC 3615/4885ALDH1A1 61/4885
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME H1-4, H1-2, H1-0 CYP2A6 3351/4885RORC 1228/4885ALDH1A1 672/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 CYP2A6 3351/4885RORC 1228/4885ALDH1A1 672/4885

“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.