SCHEMBL9612428

SCHEMBL9612428

c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3ccc4ccc5cc6ccccc6cc5c4c3)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ ALOX5 P09917 2/20 0.41
▸ ESR1 P03372 5/20 0.36
▸ ESR2 Q92731 5/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SOS1 Q07889 1/20 0.34
▸ NQO2 P16083 1/20 0.33
▸ GPR84 Q9NQS5 2/20 0.33
▸ CYP2A6 P11509 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL9612376 0.95 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1ALOX5
SCHEMBL9612487 0.93 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1ALOX5
SCHEMBL18135364 0.88 ESR1 (0.38) ALOX5ESR1ESR2SOS1
SCHEMBL9612355 0.88 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1ALOX5
SCHEMBL4651048 0.88 GPR84 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1ALOX5
SCHEMBL14337047 0.88 ALOX5 (0.36) ALDH1A1ALOX5ESR1ESR2CYP1A2
SCHEMBL18135373 0.85 ESR1 (0.35) HIF1AALOX5ESR1ESR2CYP1A2
SCHEMBL13405625 0.84 GPR84 (0.36) ALDH1A1HSD17B10HIF1ACYP1B1ALOX5
SCHEMBL14100088 0.83 ALDH1A1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1ALOX5
SCHEMBL12322629 0.83 ESR1 (0.39) CYP1B1ALOX5ESR1ESR2GPR84

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 936/4885HIF1A 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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