SCHEMBL1377286

SCHEMBL1377286

Brc1ccc2ccc3ccc4ccccc4c3c2c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.50
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 5/20 0.50
HPGD P15428 4/20 0.50
THRB P10828 1/20 0.50
POLB P06746 2/20 0.47
TSHR P16473 5/20 0.46
CYP2A6 P11509 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
HPRT1 P00492 1/20 0.42
CYP3A4 P08684 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HIF1A Q16665 2/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL28254252 0.93 POLB (0.48) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL27943645 0.85 HSD17B10 (0.41) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL2679230 0.83 HPRT1 (0.56) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL19862343 0.82 POLB (0.42) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL1187756 0.81 POLB (0.60) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL29487823 0.81 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL535472 0.81 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL29613365 0.81 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL1373385 0.80 ALDH1A1 (0.58) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL30065106 0.80 ALDH1A1 (0.58) HSD17B10ALDH1A1CYP1A2HPGDTHRB

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 HSD17B10 1453/4885ALDH1A1 356/4885CYP1A2 395/4885

“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.