SCHEMBL4568886

SCHEMBL4568886

CCCCc1cccc(OCCCC(=O)N(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 8/20 0.67
▸ KCNH2 Q12809 6/20 0.65
▸ PPARA Q07869 3/20 0.55
▸ PPARG P37231 2/20 0.55
▸ CNR1 P21554 1/20 0.53
▸ CNR2 P34972 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CACNA1B Q00975 1/20 0.51

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
SCHEMBL10235907 0.91 CYP2D6 (0.62) CYP2D6KCNH2PPARAPPARGCNR1
SCHEMBL2207909 0.88 CYP2D6 (0.56) CYP2D6KCNH2NPC1LMNAALOX15
SCHEMBL29818840 0.88 CYP2D6 (0.56) CYP2D6KCNH2NPC1LMNAALOX15
SCHEMBL7557832 0.87 CYP2D6 (0.57) CYP2D6KCNH2NPC1LMNAALOX15
SCHEMBL4568866 0.85 PPARA (0.59) CYP2D6KCNH2PPARAPPARGCNR1
SCHEMBL4568926 0.85 KMT2A (0.55) CYP2D6KCNH2CACNA1B
SCHEMBL611282 0.85 CYP2D6 (0.55) CYP2D6KCNH2PPARAPPARGCNR1
SCHEMBL27996248 0.84 CYP2D6 (0.57) CYP2D6KCNH2
SCHEMBL10235748 0.83 ALOX5 (0.54) CYP2D6KCNH2PPARAPPARG
SCHEMBL7552622 0.83 CYP2D6 (0.58) CYP2D6KCNH2CNR1CNR2MAPK1

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 16 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
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 — — 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 3691/4885KCNH2 4120/4885PPARA 586/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KCNH2 4120/4885PPARA 586/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885KCNH2 4120/4885PPARA 586/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KCNH2 4120/4885PPARA 586/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KCNH2 4120/4885PPARA 586/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885KCNH2 4120/4885PPARA 586/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KCNH2 4120/4885PPARA 586/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885KCNH2 4120/4885PPARA 586/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885KCNH2 4120/4885PPARA 586/4885

“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.

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