SCHEMBL4569137

SCHEMBL4569137

NCCC(=O)c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CTNNB1 P35222 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA6 P23280 1/20 0.55
CA9 Q16790 1/20 0.55
FASN P49327 1/20 0.52
EGLN2 Q96KS0 1/20 0.50
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CLK1 P49759 2/20 0.46
DYRK1A Q13627 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
ENPP2 Q13822 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL2178782 0.86 PARP1 (0.61) PARP1KDM4EALDH1A1CTNNB1CA12
SCHEMBL14277039 0.85 PARP1 (0.60) PARP1KDM4EALDH1A1CTNNB1CA12
SCHEMBL2979252 0.84 KDM4E (0.59) PARP1KDM4EALDH1A1CTNNB1CA12
Hydrochloric Acid SCHEMBL29112401 0.84 PARP1 (0.59) PARP1KDM4EALDH1A1CTNNB1CA12
Hydrochloric Acid SCHEMBL15973684 0.84 PARP1 (0.59) PARP1KDM4EALDH1A1CTNNB1CA12
SCHEMBL29017520 0.82 CTNNB1 (0.54) PARP1KDM4EALDH1A1CTNNB1CA12
SCHEMBL30666338 0.82 NR4A2 (0.64) PARP1KDM4EALDH1A1CTNNB1CA12
SCHEMBL2026598 0.82 HSD17B3 (0.60) PARP1KDM4EALDH1A1CTNNB1CA12
SCHEMBL4190959 0.82 NR4A2 (0.64) PARP1KDM4EALDH1A1CTNNB1CA12
SCHEMBL28310663 0.81 CTNNB1 (0.53) PARP1KDM4EALDH1A1CTNNB1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2021-03-18 US disclosed
US-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 US disclosed
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2019-06-20 US disclosed
US-10188615-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2019-01-29 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
EP-3210966-A1 ALKOXYPHENYLPROPYLAMINES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION Acucela, Inc. (US) 2017-08-30 EP disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 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-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
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 US disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 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 (10 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER PARP1 1418/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20210077427-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PARP1 1418/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PARP1 1400/4885KDM4E 2227/4885ALDH1A1 133/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PARP1 1418/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER PARP1 1418/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER PARP1 1418/4885KDM4E 2349/4885ALDH1A1 140/4885
US-10188615-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER PARP1 1418/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PARP1 1418/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER PARP1 1418/4885KDM4E 2349/4885ALDH1A1 140/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER PARP1 1418/4885KDM4E 2349/4885ALDH1A1 140/4885

“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.