SCHEMBL10028082

SCHEMBL10028082

Cc1ccccc1-c1cc2ccc3oc4cc(-c5ccccc5C)cc5ccc6oc(c1)c2c3-c6c54

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 3/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.37
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL10028081 0.84 PGR (0.39) NPC1RAB9AKDM4EALDH1A1TSHR
SCHEMBL10028086 0.84 CYP1A2 (0.37) KDM4ESMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL10028088 0.80 MEN1 (0.40) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL10028083 0.79 ALDH1A1 (0.33) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10028151 0.79 CTSD (0.39) CTSDBACE1NPC1RAB9AKDM4E
SCHEMBL10028087 0.78 PGR (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10028197 0.77 AHR (0.38) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10028085 0.76 ESR1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10028084 0.76 ALDH1A1 (0.40) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10028189 0.75 CYP1A2 (0.36) KDM4EALDH1A1TSHRHSD17B10HPGD

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 7 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-20150102308-A1 ORGANIC SEMICONDUCTOR LAYER, ELECTRONIC DEVICE, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE SONY CORPORATION (JP) 2015-04-16 US disclosed
US-20150102308-A1 ORGANIC SEMICONDUCTOR LAYER, ELECTRONIC DEVICE, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE SONY CORPORATION (JP) 2015-04-16 US 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 CTSD 3083/4885BACE1 2454/4885NPC1 1014/4885

“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.