SCHEMBL1373671

SCHEMBL1373671

c1ccc2c(-c3ccc4ccc5ccc6ccc(-c7cccc8ccccc78)cc6c5c4c3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.50
ACMSD Q8TDX5 1/20 0.50
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 6/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
THRB P10828 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 4/20 0.43
MAPK1 P28482 3/20 0.43
HIF1A Q16665 3/20 0.43
CASP1 P29466 2/20 0.43
TP53 P04637 1/20 0.43
CASP7 P55210 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL57214 0.90 MCL1 (0.54) MCL1ACMSDALDH1A1HSD17B10HPGD
SCHEMBL4444811 0.88 ALDH1A1 (0.56) MCL1ACMSDALDH1A1HSD17B10HPGD
SCHEMBL31742566 0.85 MCL1 (0.54) MCL1ACMSDALDH1A1HSD17B10CYP1A2
SCHEMBL598962 0.83 GSTP1 (0.57) MCL1ACMSDALDH1A1HSD17B10CYP1A2
SCHEMBL30274189 0.83 GSTP1 (0.57) MCL1ACMSDALDH1A1HSD17B10CYP1A2
SCHEMBL20124391 0.83 MCL1 (0.53) MCL1ACMSDCA12CA1CA2
SCHEMBL12144361 0.82 BACE1 (0.46) ALDH1A1HSD17B10CYP1A2ATMCYP2A6
SCHEMBL25177116 0.82 MCL1 (0.51) MCL1ACMSDALDH1A1HSD17B10CYP1A2
SCHEMBL57494 0.82 ALDH1A1 (0.54) MCL1ACMSDALDH1A1HSD17B10HPGD
SCHEMBL29195637 0.82 MCL1 (0.51) MCL1ACMSDALDH1A1HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006503-B2 Organic electroluminescence devices containing substituted benzo[C]phenanthrenes MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-8710284-B2 Materials for organic electroluminescent devices containing substituted 10-benzo[c]phenanthrenes MERCK PATENT GMBH (DE) 2014-04-29 US disclosed
US-20140114076-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-04-24 US disclosed
US-20110288292-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010083869-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 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 (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-20110288292-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES DDT, DDC, BMI1 MCL1 2833/4885ACMSD 138/4885ALDH1A1 356/4885

“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.