SCHEMBL4568902

SCHEMBL4568902

CCCCc1cccc(OCC(O)CCC)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.52
PPARG P37231 3/20 0.52
HIF1A Q16665 1/20 0.49
PTGIR P43119 1/20 0.48
S1PR1 P21453 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 6/20 0.45
HTR2A P28223 2/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL19291759 0.91 PPARA (0.46) PPARAPPARGHIF1APTGIRS1PR1
SCHEMBL2205141 0.91 PPARA (0.46) PPARAPPARGHIF1APTGIRS1PR1
SCHEMBL29818924 0.91 PPARA (0.46) PPARAPPARGHIF1APTGIRS1PR1
SCHEMBL19365893 0.89 TSHR (0.60) PPARAPPARGHIF1APTGIRTSHR
SCHEMBL13881547 0.87 PPARA (0.48) PPARAPPARGHIF1APTGIRS1PR1
SCHEMBL4568761 0.85 PPARA (0.51) PPARAPPARGPTGIRCYP2D6CNR1
SCHEMBL13881578 0.84 PPARA (0.52) PPARAPPARGHIF1APTGIRS1PR1
SCHEMBL15795661 0.83 PPARA (0.60) PPARAPPARGHIF1APTGIRS1PR1
SCHEMBL9651353 0.83 PPARA (0.60) PPARAPPARGHIF1APTGIRS1PR1
SCHEMBL6265372 0.83 PPARA (0.60) PPARAPPARGHIF1APTGIRS1PR1

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-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

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 PPARA 586/4885PPARG 136/4885HIF1A 1254/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885

“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.