SCHEMBL802768

SCHEMBL802768

Cc1ccc2nc(-c3ccccc3O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.60
RPS6KA3 P51812 1/20 0.60
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
TP53 P04637 2/20 0.58
PKM P14618 1/20 0.58
ESR1 P03372 7/20 0.57
ESR2 Q92731 7/20 0.57
TOP2A P11388 1/20 0.57
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM6B O15054 1/20 0.52
KDM6A O15550 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL196301 0.88 KDM4E (0.63) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL1550678 0.88 KDM4E (0.63) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL1549478 0.87 KDM4E (0.61) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL22686244 0.84 HSD17B10 (0.64) HSD17B10RPS6KA3NPC1RAB9AKDM4E
SCHEMBL2159097 0.84 ESR1 (0.79) ESR1ESR2TOP2AKDM6BKDM6A
SCHEMBL13866531 0.84 ESR1 (0.62) NPC1RAB9AESR1ESR2TOP2A
SCHEMBL13866517 0.84 TOP2A (0.62) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL802592 0.83 MAPT (0.55) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL7053445 0.83 KDM6B (0.61) HSD17B10RPS6KA3NPC1RAB9AKDM4E
SCHEMBL12304267 0.83 HSD17B10 (0.66) HSD17B10RPS6KA3NPC1RAB9AKDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796684-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-10-24 US disclosed
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
US-9334260-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-05-10 US disclosed
US-9334260-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-05-10 US disclosed
US-9199972-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-9199972-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-8679647-B2 Organic electroluminescent device comprising triazine derivatives MERCK PATENT GMBH (DE) 2014-03-25 US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
US-20130032764-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2013-02-07 US disclosed
US-20120228552-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-09-13 US disclosed
US-20120223276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-09-06 US disclosed
US-20120168735-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-07-05 US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
US-20110095282-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING TRIAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-04-28 US disclosed
US-20110095282-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING TRIAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-04-28 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 (8 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 HSD17B10 1999/4885RPS6KA3 4332/4885NPC1 868/4885
US-20130032764-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TYMS, TYMP, NUDT1 HSD17B10 3445/4885RPS6KA3 2954/4885NPC1 2562/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 HSD17B10 1999/4885RPS6KA3 4332/4885NPC1 868/4885
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, ICMT, NUDC HSD17B10 3658/4885RPS6KA3 4029/4885NPC1 2207/4885
US-20110095282-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING TRIAZINE DERIVATIVES KCNJ2, IKZF2, TERT HSD17B10 2699/4885RPS6KA3 4379/4885NPC1 2904/4885
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES PIEZO1, EMC1, EPCAM HSD17B10 2331/4885RPS6KA3 3434/4885NPC1 1032/4885
US-20120228552-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ILK, VIM, NES HSD17B10 3479/4885RPS6KA3 2429/4885NPC1 3653/4885
US-20120223276-A1 MATERIALS FOR ELECTRONIC DEVICES ERCC1, XPOT, EMD HSD17B10 2762/4885RPS6KA3 2814/4885NPC1 2604/4885

“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.