SCHEMBL4568770

SCHEMBL4568770

CCCCc1cccc(OCCC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.51
▸ PPARG P37231 2/20 0.51
▸ CYP2D6 P10635 6/20 0.51
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ GGPS1 O95749 1/20 0.45
▸ PTGIR P43119 1/20 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
SCHEMBL3966817 0.91 TDP1 (0.49) PPARAPPARGCYP2D6TSHRMAPK1
SCHEMBL10235891 0.88 CYP2D6 (0.51) PPARAPPARGCYP2D6TSHRMAPK1
SCHEMBL2207505 0.87 CSF3R (0.48) PPARAPPARGCYP2D6TSHRMAPK1
SCHEMBL4568871 0.85 PPARA (0.61) PPARAPPARGCYP2D6TSHRCNR1
SCHEMBL2843423 0.85 TDP1 (0.53) PPARAPPARGTSHRMAPK1TDP1
SCHEMBL19291639 0.84 KDM4E (0.50) CYP2D6L3MBTL1
SCHEMBL18067905 0.84 MAPK1 (0.62) TSHRMAPK1L3MBTL1TDP1
SCHEMBL28032739 0.83 TAAR1 (0.58) TSHRMAPK1L3MBTL1TDP1
SCHEMBL20318731 0.83 PPARA (0.58) PPARAPPARGCYP2D6TSHRCNR1
SCHEMBL4568878 0.83 PPARA (0.58) PPARAPPARGCYP2D6CNR1CNR2

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 PPARA 586/4885PPARG 136/4885CYP2D6 3691/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885CYP2D6 3691/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885CYP2D6 3691/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885CYP2D6 3691/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885CYP2D6 3691/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885CYP2D6 3691/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885CYP2D6 3691/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885CYP2D6 3691/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885CYP2D6 3691/4885

“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.

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