SCHEMBL21553358

SCHEMBL21553358

COc1cc(N(C)C)cc(OC)c1C(c1c(C)cccc1C)c1c(OC)cc(N(C)C)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
CRHR1 P34998 1/20 0.35
NQO2 P16083 1/20 0.35
APP P05067 3/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
HSD17B1 P14061 1/20 0.34

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
SCHEMBL18054370 0.76 CA1 (0.44) NQO2TDP1MEN1KMT2AMAPK1
SCHEMBL18054020 0.74 CA1 (0.46) NQO2TDP1MEN1KMT2AMAPK1
SCHEMBL12671987 0.69 NQO2 (0.41) SLC2A1CRHR1NQO2APPTUBB4A
SCHEMBL13939459 0.69 CA1 (0.55) NQO2TDP1MEN1KMT2AMAPK1
SCHEMBL9290124 0.69 NQO2 (0.46) SLC2A1NQO2APPTUBB4ATUBB
SCHEMBL5998927 0.67 ALDH1A1 (0.50) TDP1MEN1KMT2AMAPK1MAPT
SCHEMBL20338973 0.67 ATM (0.36) SLC2A1CRHR1NQO2APPTUBB4A
SCHEMBL10489561 0.67 ALDH1A1 (0.40) NQO2APPHSD17B1HSD17B2CYP1A2
SCHEMBL29346316 0.66 PTPN1 (0.36) SLC2A1CRHR1NQO2TUBB4ATUBB
SCHEMBL16302276 0.66 CRHR1 (0.42) SLC2A1CRHR1NQO2APPTUBB4A

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 SLC2A1 4628/4885CRHR1 3765/4885NQO2 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.