SCHEMBL10069233

SCHEMBL10069233

Cc1cc2ccc3c(N(c4ccccc4)c4ccc(C#N)cc4)c(C)cc4ccc(c1N(c1ccccc1)c1ccc(C#N)cc1)c2c43

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
TSHR P16473 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM1A O60341 2/20 0.34
KCNN4 O15554 1/20 0.34
KCNA5 P22460 1/20 0.34
ATM Q13315 2/20 0.34
CYP2A6 P11509 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SCN9A Q15858 2/20 0.33
RORC P51449 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
SCHEMBL10069238 0.93 PTGDR2 (0.34) CA1CA2ABCG2TSHRPTGDR2
SCHEMBL10038744 0.91 ABCG2 (0.32) CA1CA2ABCG2PTGDR2KMT2A
SCHEMBL10038745 0.85 PTGDR2 (0.30) PTGDR2
SCHEMBL21577034 0.84 CA1 (0.35) CA1CA2ABCG2TSHRPTGDR2
SCHEMBL10069228 0.78 CRHBP (0.35) CA1CA2ABCG2TSHRPTGDR2
SCHEMBL10068523 0.78 PTGDR2 (0.34) CA1CA2ABCG2TSHRPTGDR2
SCHEMBL15590747 0.78 CA1 (0.41) CA1CA2TSHRKMT2AMEN1
SCHEMBL15909753 0.77 ALDH1A1 (0.39) CA1CA2ABCG2TSHRPTGDR2
SCHEMBL179175 0.77 TSHR (0.39) CA1CA2ABCG2TSHRPTGDR2
SCHEMBL30666022 0.77 TSHR (0.39) CA1CA2ABCG2TSHRPTGDR2

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 CA1 945/4885CA2 1264/4885ABCG2 77/4885
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME H1-4, H1-2, H1-0 CA1 2843/4885CA2 2712/4885ABCG2 3032/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 CA1 2843/4885CA2 2712/4885ABCG2 3032/4885

“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.