SCHEMBL14226502

SCHEMBL14226502

CN(c1ccc(N)cc1)c1ccc(Cc2ccc(N(C)c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.64
ALDH1A1 P00352 5/20 0.64
TDP1 Q9NUW8 5/20 0.64
TSHR P16473 3/20 0.64
MAPK1 P28482 3/20 0.56
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.46
GFER P55789 2/20 0.46
PSMD14 O00487 1/20 0.46
RECQL P46063 1/20 0.46
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL1585951 0.86 ALDH1A1 (0.77) CYP3A4ALDH1A1TDP1TSHRMAPK1
SCHEMBL21474106 0.85 ALDH1A1 (0.68) CYP3A4ALDH1A1TDP1TSHRMAPK1
SCHEMBL64766 0.85 ALDH1A1 (0.68) CYP3A4ALDH1A1TDP1TSHRMAPK1
SCHEMBL7877908 0.85 ALDH1A1 (0.68) CYP3A4ALDH1A1TDP1TSHRMAPK1
SCHEMBL15035721 0.83 CYP3A4 (0.58) CYP3A4ALDH1A1TDP1TSHRMAPK1
SCHEMBL14018284 0.81 ALDH1A1 (0.85) CYP3A4ALDH1A1TDP1TSHRMAPK1
4,4'-Methylenedianiline SCHEMBL28001 0.80 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRTP53
SCHEMBL3482770 0.80 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRTP53
SCHEMBL6362775 0.80 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRTP53
SCHEMBL8094139 0.80 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079961-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2018-03-22 US disclosed
US-9765235-B2 Photoaligning material ROLIC AG (CH) 2017-09-19 US disclosed
US-9366906-B2 Photoreactive compounds ROLIC AG (CH) 2016-06-14 US disclosed
US-9097938-B2 Photoaligning material ROLIC AG (CH) 2015-08-04 US disclosed
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2014-07-10 US disclosed
US-20140162076-A1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2014-06-12 US disclosed
US-20130035446-A1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2013-02-07 US disclosed
US-20120316317-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC AG (CH) 2012-12-13 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-20120316317-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION LATS1, LATS2, LCP1 CYP3A4 3964/4885ALDH1A1 4503/4885TDP1 3884/4885
US-20130035446-A1 PHOTOALIGNING MATERIAL MAP1LC3C, MAP1LC3A, LCP1 CYP3A4 4082/4885ALDH1A1 3420/4885TDP1 2355/4885
US-20140192305-A1 PHOTOREACTIVE COMPOUNDS PCNA, CRY1, CRY2 CYP3A4 1905/4885ALDH1A1 2806/4885TDP1 1806/4885

“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.