SCHEMBL10068680

SCHEMBL10068680

Cc1cc(N(c2ccc(C#N)cc2)c2ccc(C(C)C)cc2)c2ccc3c(C)cc(N(c4ccc(C#N)cc4)c4ccc(C(C)C)cc4)c4ccc1c2c34

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
USP14 P54578 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
CYP2A6 P11509 1/20 0.32
PANK3 Q9H999 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 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
SCHEMBL10068529 0.93 S1PR1 (0.32) S1PR1USP14
SCHEMBL10038672 0.91 S1PR1 (0.31) S1PR1USP14ALDH1A1KDM4E
SCHEMBL10069240 0.90 ALDH1A1 (0.38) S1PR1ALDH1A1KDM4ELMNACYP2A6
SCHEMBL19505954 0.89 CYP2A6 (0.37) ALDH1A1KDM4ECYP2A6NOS3NOS1
SCHEMBL10069125 0.87 USP14 (0.32) S1PR1USP14PANK3
SCHEMBL10068677 0.86 CYP2A6 (0.47) ALDH1A1CYP2A6NOS3NOS1
SCHEMBL10038724 0.85
SCHEMBL10068689 0.85 CRHBP (0.37) ALDH1A1CYP2A6NOS3NOS1
SCHEMBL17680051 0.85 LMNA (0.36) S1PR1ALDH1A1LMNA
SCHEMBL10068518 0.85 USP14 (0.35) S1PR1USP14CYP2A6PANK3

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 S1PR1 4009/4885USP14 4650/4885ALDH1A1 61/4885
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME H1-4, H1-2, H1-0 S1PR1 3240/4885USP14 4436/4885ALDH1A1 672/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 S1PR1 3240/4885USP14 4436/4885ALDH1A1 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.