SCHEMBL10028145

SCHEMBL10028145

c1ccc(-c2ccccc2-c2ccc3cc4oc5ccc6c7cc(-c8ccccc8-c8ccccc8)ccc7cc7oc8ccc(c3c2)c4c8-c5c76)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 1/20 0.40
PGR P06401 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP1A1 P04798 2/20 0.35
FYN P06241 1/20 0.35
MAPK3 P27361 1/20 0.35
AHR P35869 1/20 0.35
PAX8 Q06710 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PLA2G2A P14555 1/20 0.34
PLA2G4A P47712 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOB P27338 2/20 0.33

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
SCHEMBL10028146 0.86 MCL1 (0.38) CYP1A2CYP1A1FYNMAPK3AHR
SCHEMBL10028158 0.86 AHR (0.41) CYP1A2CYP1A1AHRRAB9ACYP1B1
SCHEMBL10028151 0.86 CTSD (0.39) CYP1A2KDM4EALDH1A1RAB9ANPC1
SCHEMBL10028081 0.77 PGR (0.39) WEE1PGRCYP1A2CYP1A1FYN
SCHEMBL10028109 0.77 WEE1 (0.40) WEE1CYP1A2CYP1A1FYNMAPK3
SCHEMBL10028239 0.76 AHR (0.46) CYP1A2CYP1A1FYNMAPK3AHR
SCHEMBL13979460 0.76 PLA2G2A (0.49) WEE1PGRCYP1A2CYP1A1AHR
SCHEMBL10058071 0.75 WEE1 (0.40) WEE1PGRCYP1A2CYP1A1PLA2G2A
SCHEMBL10028111 0.74 WEE1 (0.42) WEE1CYP1A2CYP1A1FYNMAPK3
SCHEMBL10028149 0.74 KDM4E (0.33) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6

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 WEE1 1685/4885PGR 2037/4885CYP1A2 1150/4885

“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.