SCHEMBL3001900

SCHEMBL3001900

c1ccc2cc3c(ccc4c(-c5cc6cc7ccccc7cc6c6ccccc56)cccc43)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 6/20 0.52
HIF1A Q16665 3/20 0.52
CYP1B1 Q16678 1/20 0.52
HPGD P15428 4/20 0.47
CYP1A2 P05177 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
CASP1 P29466 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47
HPRT1 P00492 3/20 0.44
TP53 P04637 1/20 0.43
CASP7 P55210 1/20 0.43
THRB P10828 1/20 0.41
CES1 P23141 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
SCHEMBL14322661 0.94 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL2867534 0.94 ALDH1A1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL13249110 0.88 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL28376300 0.88 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL2861350 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL441871 0.86 ALDH1A1 (0.60) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL29962858 0.86 ALDH1A1 (0.60) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL28968712 0.85 HPRT1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL31290733 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL2995209 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPGD

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 3 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
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

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.