SCHEMBL8780699

SCHEMBL8780699

c1cc(-c2ccc3c(c2)sc2cc(-c4cccc5cc6ccc7ccccc7c6cc45)ccc23)c2cc3c(ccc4ccccc43)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
CYP1A2 P05177 3/20 0.46
HPGD P15428 3/20 0.46
CYP1B1 Q16678 3/20 0.44
HIF1A Q16665 2/20 0.44
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
MCL1 Q07820 2/20 0.38
ACMSD Q8TDX5 1/20 0.38
ALOX5 P09917 1/20 0.38
HPRT1 P00492 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 2/20 0.37

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
SCHEMBL8780506 0.95 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL13249124 0.89 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL31442400 0.87 MCL1 (0.47) ALDH1A1HPGDCYP1B1MCL1ACMSD
SCHEMBL18820531 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL8780627 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL14101636 0.81 CYP1A2 (0.44) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL14101579 0.81 MCL1 (0.40) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL1527420 0.80 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL14101578 0.79 CYP1A2 (0.42) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1
SCHEMBL22155188 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1A2HPGDCYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
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-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 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 (2 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 936/4885CYP1A2 128/4885
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 ALDH1A1 507/4885HSD17B10 1679/4885CYP1A2 820/4885

“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.