SCHEMBL4569063

SCHEMBL4569063

Cc1cccc(C(O)CC#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACP3 P15309 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
ACHE P22303 2/20 0.38
OPRK1 P41145 1/20 0.38
HIF1A Q16665 3/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL16079974 1.00 GAA (0.40) GAAALDH1A1L3MBTL1ACP3TAAR1
SCHEMBL11077019 0.81 ALDH1A1 (0.42) GAAALDH1A1L3MBTL1ACP3TAAR1
SCHEMBL2150979 0.80 CPN1 (0.44) ALDH1A1HIF1AADRB2ADRB1HTR1A
SCHEMBL29818916 0.80 HIF1A (0.54) GAAALDH1A1OPRK1HIF1AADRB2
SCHEMBL17735447 0.80 HIF1A (0.54) GAAALDH1A1OPRK1HIF1AADRB2
SCHEMBL2151108 0.80 HIF1A (0.54) GAAALDH1A1OPRK1HIF1AADRB2
SCHEMBL16032729 0.80 CPN1 (0.44) ALDH1A1HIF1AADRB2ADRB1HTR1A
SCHEMBL21901289 0.79 AOC3 (0.41) GAAALDH1A1L3MBTL1ACP3TAAR1
SCHEMBL236322 0.79 CTSB (0.38) GAACTSBHIF1AADRB2ADRB1
SCHEMBL13459329 0.79 PNMT (0.37) GAAHIF1AADRB2ADRB1HTR1A

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
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 US disclosed
US-9458088-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2016-10-04 US disclosed
US-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-12 US disclosed
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-9079825-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-07-14 US disclosed
US-8993807-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-31 US disclosed
US-8981153-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-17 US disclosed
US-8829244-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2014-09-09 US disclosed
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA, INC. (US) 2013-08-01 US disclosed
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-08-23 US disclosed
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 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 (9 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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885L3MBTL1 2398/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885L3MBTL1 2398/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885L3MBTL1 2398/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885L3MBTL1 2398/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885L3MBTL1 2398/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885L3MBTL1 2398/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885L3MBTL1 2398/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER GAA 26/4885ALDH1A1 140/4885L3MBTL1 2398/4885
US-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1C, ADH1A, ADH5 GAA 3984/4885ALDH1A1 82/4885L3MBTL1 3167/4885

“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.