SCHEMBL3096941

SCHEMBL3096941

CCCCCc1cc2ccccc2c2cc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.50
MAPT P10636 4/20 0.48
LIPG Q9Y5X9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
CYP3A4 P08684 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
ATM Q13315 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL28046693 0.83 TLR8 (0.61) TLR8MAPTLIPGCYP3A4MEN1
Phenanthrene SCHEMBL28243923 0.82 ALDH1A1 (0.46) TLR8MAPTLIPGALDH1A1HSD17B10
SCHEMBL11227235 0.81 TLR8 (0.59) TLR8MAPTLIPGCYP3A4MEN1
SCHEMBL11229645 0.81 TLR8 (0.59) TLR8MAPTLIPGCYP3A4MEN1
SCHEMBL223486 0.81 TLR8 (0.48) TLR8MAPTLIPGKCNH2ALOX5
Anthracene SCHEMBL28729629 0.81 TLR8 (0.48) TLR8MAPTLIPGKCNH2ALOX5
SCHEMBL408250 0.80 LIPG (0.48) TLR8MAPTLIPGALDH1A1HSD17B10
SCHEMBL7532153 0.79 TLR8 (0.50) TLR8MAPTLIPGALDH1A1HSD17B10
SCHEMBL1611673 0.79 LIPG (0.50) TLR8MAPTLIPGKCNH2
SCHEMBL5749320 0.79 TLR8 (0.50) TLR8MAPTLIPGALDH1A1HSD17B10

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 2 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-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 TLR8 4029/4885MAPT 706/4885LIPG 2619/4885

“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.