SCHEMBL2742932

SCHEMBL2742932

CN(c1ccccc1)c1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.58
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
ERN1 O75460 3/20 0.44
KDM1A O60341 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HDAC2 Q92769 1/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40

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
SCHEMBL12249572 0.95 APP (0.57) APPCA1CA2CA9HSD17B1
SCHEMBL24083318 0.94 APP (0.53) APPCA1CA2CA9HSD17B1
SCHEMBL27451546 0.87 APP (0.62) APPCA1CA2CA9HSD17B1
SCHEMBL13843575 0.87 APP (0.62) APPCA1CA2CA9HSD17B1
SCHEMBL14178329 0.87 APP (0.62) APPCA1CA2CA9HSD17B1
SCHEMBL14178304 0.87 APP (0.62) APPCA1CA2CA9HSD17B1
SCHEMBL13843465 0.85 APP (0.60) APPCA1CA2CA9HSD17B1
SCHEMBL13843574 0.85 APP (0.60) APPCA1CA2CA9HSD17B1
SCHEMBL13843470 0.85 APP (0.60) APPCA1CA2CA9HSD17B1
SCHEMBL14178307 0.85 APP (0.60) APPCA1CA2CA9HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588527-B1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL IND LTD (JP) 2017-10-25 EP disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-9112157-B2 Hole transport materials including OLED applications SOLVAY USA, INC. (US) 2015-08-18 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
WO-2012003482-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (II) PLEXTRONICS, INC. (US) 2012-01-05 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-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) OCIAD2, OCIAD1, SLCO1B1 APP 1121/4885CA1 4761/4885CA2 4672/4885

“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.