SCHEMBL21553367

SCHEMBL21553367

COc1cc(C#Cc2ccc(N(C)C)cc2)cc(OC)c1Cc1c(OC)cc(C#Cc2ccc(N(C)C)cc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 3/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 6/20 0.42
NQO2 P16083 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL20354546 0.78 PDGFRB (0.48) APPNQO2TUBB4ATUBBTUBA3C
SCHEMBL23310383 0.78 SLC16A3 (0.42)
SCHEMBL20354536 0.77 CALM1 (0.40) APPNQO2TUBB4ATUBBTUBA3C
SCHEMBL21553366 0.74 TUBB1 (0.71) L3MBTL1APPNQO2TUBB4ATUBB
SCHEMBL10300053 0.74 ALDH1A1 (0.65) ADKAPPCYP3A4TSHRALDH1A1
SCHEMBL770159 0.74 ALDH1A1 (0.65) ADKAPPCYP3A4TSHRALDH1A1
SCHEMBL21553361 0.71 APP (0.60) ATML3MBTL1APPNQO2TUBB4A
SCHEMBL17104746 0.68 SNCA (0.52) ADKAPPTSHRKMT2ANPC1
SCHEMBL17104780 0.67 SNCA (0.48) ADKAPPTSHRKMT2ANPC1
SCHEMBL2555531 0.67 APP (0.57) ADKAPPTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190337885-A1 Organic Materials with Special Optical Effects CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-11-07 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 (1 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 ADK 4634/4885ATM 3924/4885L3MBTL1 1602/4885

“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.