SCHEMBL4568833

SCHEMBL4568833

CCCCc1cccc(OCC2CCCCCCC2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
BCHE P06276 1/20 0.44
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL3967742 1.00 SLC2A1 (0.48) SLC2A1PPARAPPARGCNR1CNR2
SCHEMBL4568750 1.00 SLC2A1 (0.48) SLC2A1PPARAPPARGCNR1CNR2
SCHEMBL4568811 0.99 PPARA (0.49) SLC2A1PPARAPPARGCNR1CNR2
SCHEMBL4568850 0.96 PPARA (0.53) SLC2A1PPARAPPARGCNR1CNR2
SCHEMBL4568802 0.96 PPARA (0.49) SLC2A1PPARAPPARGCNR1CNR2
SCHEMBL4568828 0.93 PPARA (0.51) PPARAPPARGCNR1CNR2TLR4
SCHEMBL3972767 0.92 TLR4 (0.48) SLC2A1TLR4TLR2MAOAMAOB
SCHEMBL3970976 0.92 TLR4 (0.48) SLC2A1TLR4TLR2MAOAMAOB
SCHEMBL3969096 0.90 TLR4 (0.46) SLC2A1CNR1CNR2TLR4TLR2
SCHEMBL3969111 0.87 ACACB (0.46) SLC2A1PPARAPPARGCNR1CNR2

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-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

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 SLC2A1 911/4885PPARA 586/4885PPARG 136/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885PPARA 586/4885PPARG 136/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SLC2A1 911/4885PPARA 586/4885PPARG 136/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885PPARA 586/4885PPARG 136/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885PPARA 586/4885PPARG 136/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SLC2A1 911/4885PPARA 586/4885PPARG 136/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885PPARA 586/4885PPARG 136/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER SLC2A1 911/4885PPARA 586/4885PPARG 136/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER SLC2A1 911/4885PPARA 586/4885PPARG 136/4885

“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.