SCHEMBL4568906

SCHEMBL4568906

CCCC(CCC)COc1cccc(CC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SOD1 P00441 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
BCHE P06276 2/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
GRM2 Q14416 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL3964848 0.89 CYP4F2 (0.44) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL2205362 0.87 MAOB (0.48) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL4568761 0.86 PPARA (0.51) BCHE
SCHEMBL25819160 0.84 NOS1 (0.47) KDM4EBCHE
SCHEMBL18539787 0.83 CYSLTR2 (0.43) CYSLTR2CYSLTR1
SCHEMBL8194846 0.83 MAPK1 (0.49) MAPK1L3MBTL1TSHRTDP1SOD1
SCHEMBL19291644 0.83 CYSLTR2 (0.45) MAPK1L3MBTL1TSHRTDP1CYSLTR2
SCHEMBL18539788 0.83 CYSLTR2 (0.43) CYSLTR2CYSLTR1
SCHEMBL4568796 0.82 HIF1A (0.44) MAPK1TSHRKDM4ECYSLTR2CYSLTR1
SCHEMBL4568809 0.82 HIF1A (0.44) MAPK1TSHRKDM4ECYSLTR2CYSLTR1

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 MAPK1 2505/4885L3MBTL1 2398/4885TSHR 2964/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885L3MBTL1 2398/4885TSHR 2964/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885L3MBTL1 2398/4885TSHR 2964/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885L3MBTL1 2398/4885TSHR 2964/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885L3MBTL1 2398/4885TSHR 2964/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885L3MBTL1 2398/4885TSHR 2964/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885L3MBTL1 2398/4885TSHR 2964/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885L3MBTL1 2398/4885TSHR 2964/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885L3MBTL1 2398/4885TSHR 2964/4885

“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.