SCHEMBL10057743

SCHEMBL10057743

COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)ccc6-7)cc5)cc4)ccc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ESR2 Q92731 1/20 0.38
APP P05067 1/20 0.37
ABL1 P00519 2/20 0.37
ABCB1 P08183 2/20 0.37
BCR P11274 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10057746 1.00 PDK2 (0.42) PDK2SMN1; SMN2NPC1TP53MAPK1
SCHEMBL14207084 0.95 CA1 (0.38) PDK2APPKDM4EALDH1A1MAPT
SCHEMBL10025016 0.94 ACHE (0.42) PDK2SMN1; SMN2NPC1TP53MAPK1
SCHEMBL10025029 0.94 ACHE (0.42) PDK2SMN1; SMN2NPC1TP53MAPK1
SCHEMBL10057800 0.93 PDK2 (0.49) PDK2SMN1; SMN2NPC1TP53MAPK1
SCHEMBL10058152 0.93 PDK2 (0.49) PDK2SMN1; SMN2NPC1TP53MAPK1
SCHEMBL17735813 0.93 PDK2 (0.49) PDK2SMN1; SMN2NPC1TP53MAPK1
SCHEMBL12393766 0.92 PDK2 (0.48) PDK2SMN1; SMN2NPC1RAB9AABL1
SCHEMBL13018377 0.89 ACHE (0.46) NPC1TP53RAB9AKDM4EHPGD
SCHEMBL16996396 0.88 PDK2 (0.45) PDK2SMN1; SMN2NPC1RAB9AABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170082426-A1 DETECTOR FOR OPTICALLY DETECTING AT LEAST ONE OBJECT BASF SE (DE) 2017-03-23 US disclosed
US-9595678-B2 Dye solar cell with improved stability BASF SE (DE) 2017-03-14 US disclosed
EP-2676102-B1 DETECTOR FOR OPTICALLY DETECTING AT LEAST ONE OBJECT BASF SE (DE) 2016-04-20 EP disclosed
US-9087991-B2 Photovoltaic element BASF SE (DE) 2015-07-21 US disclosed
US-20150124268-A1 DETECTOR FOR OPTICALLY DETECTING AT LEAST ONE OBJECT BASF SE (DE) 2015-05-07 US disclosed
US-9001029-B2 Detector for optically detecting at least one object BASF SE (DE) 2015-04-07 US disclosed
US-20140130870-A1 USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES BASF SE (DE) 2014-05-15 US disclosed
US-20120279566-A1 PHOTOVOLTAIC ELEMENT WITH INCREASED LONG-TERM STABILITY BASF SE (DE) 2012-11-08 US disclosed
US-20120206336-A1 DETECTOR FOR OPTICALLY DETECTING AT LEAST ONE OBJECT BASF SE (DE) 2012-08-16 US disclosed
US-20120192945-A1 PHOTOVOLTAIC ELEMENT BASF SE (DE) 2012-08-02 US disclosed
US-20120017995-A1 DYE SOLAR CELL WITH IMPROVED STABILITY BASF SE (DE) 2012-01-26 US disclosed
WO-2012011023-A2 DYE SOLAR CELL WITH IMPROVED STABILITY BASF SE (DE) 2012-01-26 WO disclosed
US-20110297235-A1 USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES BASF SE (DE) 2011-12-08 US disclosed
WO-2010094636-A1 USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES BASF SE (DE) 2010-08-26 WO 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-20110297235-A1 USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES NR2E3, NR0B2, AHR PDK2 3106/4885SMN1; SMN2 4514/4885NPC1 887/4885

“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.