SCHEMBL20338973

SCHEMBL20338973

COc1cc(N(C)C)cc(OC)c1C(C#N)c1c(OC)cc(N(C)C)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
SLC2A1 P11166 1/20 0.34
NQO2 P16083 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
MAPK1 P28482 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 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
SCHEMBL14609613 0.69 TUBB4A (0.58) MAPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12671987 0.69 NQO2 (0.41) SLC2A1NQO2MEN1KMT2ATUBB4A
SCHEMBL28979980 0.67 NQO2 (0.40) SLC2A1NQO2MAPK1MEN1KMT2A
SCHEMBL8742217 0.67 ABL1 (0.48) TDP1MEN1KMT2AGAALMNA
SCHEMBL21553358 0.67 SLC2A1 (0.39) SLC2A1NQO2TDP1MAPK1MEN1
SCHEMBL4308489 0.67 AR (0.50) ALDH1A1GAAKDM4EPOLB
Hydrochloric Acid SCHEMBL10933887 0.66 TUBB4A (0.55) MAPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20354536 0.66 CALM1 (0.40) SLC2A1NQO2TDP1MAPK1MEN1
Hydrochloric Acid SCHEMBL10933891 0.64 TUBB4A (0.53) MAPK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL116727 0.64 ALDH1A1 (0.61) SLC2A1NQO2ALDH1A1CYP1A2CYP3A4

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
EP-3562817-B1 ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS CENTRE NAT RECH SCIENT (FR) 2023-11-15 EP disclosed
EP-3562817-B1 ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS CENTRE NAT RECH SCIENT (FR) 2023-11-15 EP disclosed
US-11613513-B2 Organic materials with special optical effects CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2023-03-28 US disclosed
US-20190337885-A1 Organic Materials with Special Optical Effects CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-11-07 US disclosed
EP-3562817-A1 ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS Centre National de la Recherche Scientifique (CNRS) (FR) 2019-11-06 EP disclosed
WO-2018122359-A1 ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-07-05 WO disclosed
WO-2018122359-A1 ORGANIC MATERIALS WITH SPECIAL OPTICAL EFFECTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-07-05 WO 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 (2 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-20190337885-A1 Organic Materials with Special Optical Effects IK, TYR, MITF ATM 3924/4885SLC2A1 4628/4885NQO2 1094/4885
US-11613513-B2 Organic materials with special optical effects IK, TYR, MITF ATM 3924/4885SLC2A1 4628/4885NQO2 1094/4885

“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.