SCHEMBL14733729

SCHEMBL14733729

Cc1ccccc1N1c2ccccc2C[C@H]1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.50
NOTUM Q6P988 2/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
PKM P14618 2/20 0.46
CLK1 P49759 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL11995386 1.00 ROCK1 (0.50) ROCK1NOTUMALDH1A1SMN1; SMN2HPGD
SCHEMBL15965528 1.00 ROCK1 (0.50) ROCK1NOTUMALDH1A1SMN1; SMN2HPGD
SCHEMBL25798923 0.88 ROCK1 (0.47) ROCK1NOTUMALDH1A1SMN1; SMN2HPGD
SCHEMBL13723399 0.82 POLB (0.47) ALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL22005465 0.79 ROCK1 (0.51) ROCK1NOTUMALDH1A1HPGDLMNA
SCHEMBL7075121 0.79 ROCK1 (0.51) ROCK1NOTUMALDH1A1HPGDLMNA
SCHEMBL12345961 0.76 ROCK1 (0.49) ROCK1NOTUMALDH1A1LMNAHTT
SCHEMBL30421648 0.75 ROCK1 (0.58) ROCK1NOTUMALDH1A1SMN1; SMN2HPGD
SCHEMBL15681285 0.75 ROCK1 (0.48) ROCK1NOTUMALDH1A1HPGDLMNA
SCHEMBL15714402 0.75 NOTUM (0.54) ROCK1NOTUMALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837625-B2 Organic electroluminescent element Konica Minolta, Inc. (JP) 2017-12-05 US disclosed
US-9780322-B2 Organic electroluminescent element Konica Minolta, Inc. (JP) 2017-10-03 US disclosed
US-20160315273-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE Konica Minolta, Inc. (JP) 2016-10-27 US disclosed
US-9437833-B2 Organic electroluminescence element Konica Minolta, Inc. (JP) 2016-09-06 US disclosed
US-9260658-B2 Organic electroluminescence element, lighting device and display device Konica Minolta, Inc. (JP) 2016-02-16 US disclosed
US-20150053949-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-02-26 US disclosed
US-20140339529-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2014-11-20 US disclosed
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC 2014-10-02 US disclosed
US-20140191227-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2014-07-10 US disclosed
US-20130049576-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2013-02-28 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 (2 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-20160315273-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE LAGE3, ELOVL1, ELP1 ROCK1 3059/4885NOTUM 2319/4885ALDH1A1 768/4885
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP ROCK1 2066/4885NOTUM 1926/4885ALDH1A1 701/4885

“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.