SCHEMBL13249097

SCHEMBL13249097

Brc1c2ccccc2cc2c1cc(-c1cc3ccccc3c3cc4ccccc4c(Br)c13)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.39
▸ TRPM4 Q8TD43 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ NISCH Q9Y2I1 1/20 0.34
▸ HPRT1 P00492 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33

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
SCHEMBL13985498 0.88 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1AHPGDTSHR
SCHEMBL13249093 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1AHPGDTSHR
SCHEMBL13299966 0.78 ALDH1A1 (0.65) ALDH1A1HSD17B10HIF1AHPGDTSHR
SCHEMBL17537047 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1AHPGDTSHR
SCHEMBL4442152 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1AHPGDTSHR
SCHEMBL29886729 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1AHPGDTSHR
SCHEMBL198719 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1AHPGDTSHR
SCHEMBL13249092 0.75 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1AHPGDTSHR
SCHEMBL13249095 0.73 SOS1 (0.43) ALDH1A1HSD17B10HIF1AHPGDTSHR
SCHEMBL13249086 0.73 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 — — US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 — — US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 — — US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 — — 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 ALDH1A1 26/4885HSD17B10 936/4885HIF1A 3505/4885

“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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