SCHEMBL1377289

SCHEMBL1377289

Brc1c(Br)c2ccc3ccccc3c2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 3/20 0.50
▸ POLB P06746 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 3/20 0.48
▸ CYP2A6 P11509 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CYP1A2 P05177 4/20 0.46
▸ THRB P10828 1/20 0.46
▸ ERBB2 P04626 1/20 0.42
▸ FYN P06241 1/20 0.42

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
SCHEMBL2848750 0.86 HPRT1 (0.50) HPRT1POLBHSD17B10ALDH1A1TSHR
SCHEMBL11197647 0.86 HPRT1 (0.50) HPRT1POLBHSD17B10ALDH1A1TSHR
SCHEMBL29517920 0.85 HPRT1 (0.67) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL4847084 0.85 HPRT1 (0.67) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL29402390 0.83 HPRT1 (0.72) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL297902 0.83 HPRT1 (0.72) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL30892665 0.83 HPRT1 (0.72) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL30583321 0.83 HPRT1 (0.72) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL31340098 0.83 HPRT1 (0.58) HPRT1POLBHSD17B10ALDH1A1TSHR
SCHEMBL4851786 0.80 HPRT1 (0.78) HPRT1HSD17B10ALDH1A1TSHRCYP2A6

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 HPRT1 1258/4885POLB 1198/4885HSD17B10 1453/4885

“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.

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