SCHEMBL12014716

SCHEMBL12014716

c1ccc(N(c2ccc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3c2)c2cccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HIF1A Q16665 1/20 0.38
SIGMAR1 Q99720 5/20 0.34
ANPEP P15144 1/20 0.33
SOS1 Q07889 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ATM Q13315 1/20 0.31
DNMT1 P26358 1/20 0.31

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
SCHEMBL15002968 0.91 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL12014674 0.91 SIGMAR1 (0.38) L3MBTL1SIGMAR1SOS1
SCHEMBL12014694 0.90 CYP1A2 (0.38) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL13333650 0.90 SIGMAR1 (0.37) ALDH1A1L3MBTL1SIGMAR1SOS1
SCHEMBL762745 0.89 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL15762792 0.88 CRHBP (0.39) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL12014717 0.86 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL13333759 0.86 SIGMAR1 (0.35) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL13333645 0.85 SOS1 (0.38) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL13333914 0.85 SIGMAR1 (0.34) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1

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
US-10273404-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-04-30 US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
WO-2011110276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-15 WO disclosed
WO-2011054442-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-12 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-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 ALDH1A1 261/4885TSHR 4498/4885MAPK1 1361/4885

“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.