SCHEMBL4568889

SCHEMBL4568889

CCCCc1cccc(OCCCCCOCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PPARA Q07869 3/20 0.54
PPARG P37231 2/20 0.54
PLA2G4B P0C869 2/20 0.53
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 0.52
BCHE P06276 2/20 0.50
MGLL Q99685 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
TSHR P16473 1/20 0.49
CYP2D6 P10635 2/20 0.48
GGPS1 O95749 1/20 0.48

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
SCHEMBL4568870 0.99 TDP1 (0.52) TDP1L3MBTL1PPARAPPARGPLA2G4B
SCHEMBL4568879 0.96 PPARA (0.52) TDP1L3MBTL1PPARAPPARGPLA2G4B
SCHEMBL4568882 0.93 PPARA (0.52) TDP1L3MBTL1PPARAPPARGPLA2G4B
SCHEMBL4249052 0.93 TDP1 (0.52) TDP1L3MBTL1PPARAPPARGPLA2G4B
SCHEMBL3968967 0.92 CYP4F2 (0.51) TDP1L3MBTL1PPARAPPARGPLA2G4B
SCHEMBL20318731 0.88 PPARA (0.58) PPARAPPARGPLA2G4BCNR1CNR2
SCHEMBL4568922 0.87 MAOB (0.51) TDP1L3MBTL1PLA2G4BTSHR
SCHEMBL2208231 0.86 TDP1 (0.51) TDP1L3MBTL1PLA2G4BBCHEMGLL
SCHEMBL27663719 0.85 PPARA (0.68) PPARAPPARGPLA2G4BCNR1CNR2
SCHEMBL4568925 0.85 MAOB (0.53) TDP1L3MBTL1PLA2G4BBCHETSHR

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 TDP1 499/4885L3MBTL1 2398/4885PPARA 586/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 499/4885L3MBTL1 2398/4885PPARA 586/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TDP1 499/4885L3MBTL1 2398/4885PPARA 586/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 499/4885L3MBTL1 2398/4885PPARA 586/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 499/4885L3MBTL1 2398/4885PPARA 586/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TDP1 499/4885L3MBTL1 2398/4885PPARA 586/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 499/4885L3MBTL1 2398/4885PPARA 586/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TDP1 499/4885L3MBTL1 2398/4885PPARA 586/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TDP1 499/4885L3MBTL1 2398/4885PPARA 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.