SCHEMBL4568869

SCHEMBL4568869

CCCCc1cccc(OCCCCOC)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PPARG P37231 2/20 0.54
PPARA Q07869 2/20 0.54
GGPS1 O95749 2/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
KCNH2 Q12809 2/20 0.50

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
SCHEMBL4568868 0.94 CYP2D6 (0.55) CYP2D6KDM4EALDH1A1PPARGPPARA
SCHEMBL10235903 0.92 KDM4E (0.56) CYP2D6KDM4EALDH1A1PPARGPPARA
SCHEMBL4568871 0.92 PPARA (0.61) CYP2D6PPARGPPARAGGPS1TSHR
SCHEMBL10235923 0.91 PPARA (0.55) CYP2D6KDM4EALDH1A1PPARGPPARA
SCHEMBL10235898 0.90 CYP2D6 (0.54) CYP2D6KDM4EALDH1A1PPARGPPARA
SCHEMBL20318731 0.89 PPARA (0.58) CYP2D6PPARGPPARAGGPS1TSHR
SCHEMBL17509791 0.87 PPARA (0.68) CYP2D6PPARGPPARAGGPS1TSHR
SCHEMBL17509789 0.87 PPARA (0.68) CYP2D6PPARGPPARAGGPS1TSHR
SCHEMBL17509796 0.87 PPARA (0.68) CYP2D6PPARGPPARAGGPS1TSHR
SCHEMBL17509781 0.87 PPARA (0.68) CYP2D6PPARGPPARAGGPS1TSHR

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-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
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-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-20150239836-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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KDM4E 2349/4885ALDH1A1 140/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885KDM4E 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.