SCHEMBL10028085

SCHEMBL10028085

c1ccc2cc(-c3cc4ccc5oc6cc(-c7ccc8ccccc8c7)cc7ccc8oc(c3)c4c5-c8c76)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ALOX5 P09917 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
NOTUM Q6P988 1/20 0.41
PGR P06401 1/20 0.40
GSTP1 P09211 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
CYP1A2 P05177 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL10028190 0.86 PGR (0.37) ESR1ESR2HSD17B1HSD17B2LPL
SCHEMBL10028189 0.86 CYP1A2 (0.36) PGRCYP19A1CYP1A2ALDH1A1HSD17B10
SCHEMBL10028087 0.86 PGR (0.46) ESR1ESR2PGRSMN1; SMN2CYP1A2
SCHEMBL10028084 0.79 ALDH1A1 (0.40) PGRSMN1; SMN2CYP1A2ALDH1A1HSD17B10
SCHEMBL10028203 0.79 CYP1A2 (0.39) SMN1; SMN2CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL10028081 0.78 PGR (0.39) PGRCYP1A2ALDH1A1TSHRMIF
SCHEMBL10028088 0.78 MEN1 (0.40) ESR1ESR2CYP1A2ALDH1A1HSD17B10
SCHEMBL10028197 0.78 AHR (0.38) SMN1; SMN2CYP1A2ALDH1A1HSD17B10CYP3A4
SCHEMBL13507033 0.77 ESR1 (0.44) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL10028107 0.77 GSTP1 (0.44) ESR1ESR2ALOX5HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046915-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-02 EP disclosed
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 ESR1 612/4885ESR2 723/4885ALOX5 2515/4885

“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.