SCHEMBL4568936

SCHEMBL4568936

CCCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.66
CYP4A11 Q02928 1/20 0.66
BCHE P06276 9/20 0.64
MAOB P27338 4/20 0.60
MGLL Q99685 1/20 0.59
PPARA Q07869 2/20 0.58
PPARG P37231 1/20 0.58

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
SCHEMBL27674326 0.94 PPARA (0.68) CYP4F2CYP4A11BCHEMAOBMGLL
SCHEMBL327570 0.90 CYP4F2 (0.70) CYP4F2CYP4A11BCHEMAOBMGLL
SCHEMBL4568935 0.89 MAOB (0.60) CYP4F2CYP4A11BCHEMAOBMGLL
SCHEMBL27439182 0.88 BCHE (0.59) CYP4F2CYP4A11BCHEMAOBPPARA
SCHEMBL4568937 0.88 MAOB (0.55) CYP4F2CYP4A11BCHEMAOBMGLL
SCHEMBL20318731 0.87 PPARA (0.58) PPARAPPARG
SCHEMBL4568878 0.87 PPARA (0.58) BCHEMAOBPPARAPPARG
SCHEMBL4568882 0.86 PPARA (0.52) CYP4F2CYP4A11BCHEMGLLPPARA
SCHEMBL4568870 0.86 TDP1 (0.52) CYP4F2CYP4A11BCHEMGLLPPARA
SCHEMBL4568879 0.86 PPARA (0.52) CYP4F2CYP4A11BCHEMGLLPPARA

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 19 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
CN-100584823-C Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO 2010-01-27 CN disclosed
CN-100376549-C Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2008-03-26 CN disclosed
CN-101033200-A Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2007-09-12 CN disclosed
CN-1639114-A Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2005-07-13 CN 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 CYP4F2 4298/4885CYP4A11 1129/4885BCHE 1592/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885BCHE 1592/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885BCHE 1592/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885BCHE 1592/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885BCHE 1592/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885BCHE 1592/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885BCHE 1592/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885BCHE 1592/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP4F2 4298/4885CYP4A11 1129/4885BCHE 1592/4885

“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.