SCHEMBL4568896

SCHEMBL4568896

CCCC(O)c1cccc(OCCCC(=O)N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.54
LTB4R Q15722 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 4/20 0.46
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
KCNH2 Q12809 2/20 0.45

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
SCHEMBL2205412 0.89 CACNA1B (0.47) CACNA1BLTB4RKDM4EALDH1A1LMNA
SCHEMBL19291558 0.89 CACNA1B (0.47) CACNA1BLTB4RKDM4EALDH1A1LMNA
SCHEMBL29818806 0.89 CACNA1B (0.47) CACNA1BLTB4RKDM4EALDH1A1LMNA
SCHEMBL25823443 0.87 CACNA1B (0.48) CACNA1BKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL25821996 0.86 CACNA1B (0.47) CACNA1BKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4568895 0.86 L3MBTL1 (0.52) LTB4RALDH1A1LMNASMN1; SMN2CYSLTR2
SCHEMBL11993599 0.86 SMN1; SMN2 (0.49) CACNA1BALDH1A1LMNASMN1; SMN2CYSLTR2
SCHEMBL3704874 0.85 CACNA1B (0.47) CACNA1BKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL27439141 0.83 SMN1; SMN2 (0.48) CACNA1BLTB4RALDH1A1LMNASMN1; SMN2
SCHEMBL4568926 0.82 KMT2A (0.55) CACNA1BKDM4EALDH1A1SMN1; SMN2CYP2D6

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-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
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 CACNA1B 4265/4885LTB4R 177/4885KDM4E 2349/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CACNA1B 4265/4885LTB4R 177/4885KDM4E 2349/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CACNA1B 4265/4885LTB4R 177/4885KDM4E 2349/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CACNA1B 4265/4885LTB4R 177/4885KDM4E 2349/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CACNA1B 4265/4885LTB4R 177/4885KDM4E 2349/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CACNA1B 4265/4885LTB4R 177/4885KDM4E 2349/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CACNA1B 4265/4885LTB4R 177/4885KDM4E 2349/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CACNA1B 4265/4885LTB4R 177/4885KDM4E 2349/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CACNA1B 4265/4885LTB4R 177/4885KDM4E 2349/4885

“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.