SCHEMBL10028239

SCHEMBL10028239

c1ccc2c(c1)cc1oc3ccc4c5ccccc5cc5oc6ccc2c1c6-c3c54

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.46
CYP1A2 P05177 3/20 0.46
FYN P06241 2/20 0.46
ERBB2 P04626 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CYP1B1 Q16678 1/20 0.40
HPRT1 P00492 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
GLA P06280 1/20 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
SCHEMBL10028106 0.82 ALDH1A1 (0.41) AHRCYP1A2FYNERBB2MAOA
SCHEMBL10028146 0.81 MCL1 (0.38) AHRCYP1A2FYNERBB2MAOA
SCHEMBL10028152 0.77 KDM4E (0.38) AHRCYP1A2FYNERBB2MAOA
SCHEMBL10028149 0.76 KDM4E (0.33) CYP1A2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL10028145 0.76 WEE1 (0.40) AHRCYP1A2FYNALDH1A1CYP1B1
SCHEMBL10028151 0.74 CTSD (0.39) CYP1A2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL10028158 0.74 AHR (0.41) AHRCYP1A2HPGDCYP1B1NPC1
SCHEMBL24211814 0.74 AHR (0.39) AHRCYP1A2FYNERBB2MAOA
SCHEMBL10028105 0.74 MAOA (0.43) AHRMAOAALDH1A1HSD17B10HPGD
SCHEMBL20127709 0.74 SOS1 (0.49) AHRCYP1A2FYNERBB2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 AHR 2429/4885CYP1A2 1150/4885FYN 3018/4885

“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.