SCHEMBL9612355

SCHEMBL9612355

c1ccc(N(c2ccc3ccccc3c2)c2c3ccccc3c(-c3ccc4c(ccc5cc6ccccc6cc54)c3)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ GPR84 Q9NQS5 2/20 0.34
▸ SOS1 Q07889 1/20 0.33
▸ ESR1 P03372 4/20 0.33
▸ ESR2 Q92731 4/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PDE9A O76083 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ GSTP1 P09211 1/20 0.30

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
SCHEMBL9612487 0.95 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL9612376 0.94 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL13405625 0.92 GPR84 (0.36) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL12323516 0.89 GPR84 (0.35) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL12323512 0.89 GPR84 (0.35) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL9612428 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL2451884 0.88 ALDH1A1 (0.35) ALDH1A1ALOX5GPR84ESR1ESR2
SCHEMBL29444853 0.88 ALDH1A1 (0.35) ALDH1A1ALOX5GPR84ESR1ESR2
SCHEMBL4651048 0.88 GPR84 (0.38) ALDH1A1HSD17B10CYP1B1HIF1AALOX5
SCHEMBL14489453 0.88 ESR1 (0.38) ALDH1A1CYP1B1ALOX5GPR84ESR1

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 6 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
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 — — EP 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
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 — — 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 ALDH1A1 26/4885HSD17B10 936/4885CYP1B1 36/4885

“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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