SCHEMBL4568942

SCHEMBL4568942

CCCOc1cccc(OCc2ccccc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.53
MAPK1 P28482 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
BCHE P06276 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
MAOB P27338 2/20 0.47
IDO1 P14902 2/20 0.47
CD274 Q9NZQ7 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL2206122 0.87 PARP10 (0.54) ABCB1MAPK1PARP14PARP10BCHE
SCHEMBL29818793 0.87 PARP10 (0.54) ABCB1MAPK1PARP14PARP10BCHE
SCHEMBL13462916 0.82 ABCB1 (0.64) ABCB1PARP14PARP10BCHEHTR1A
SCHEMBL23118 0.82 ABCB1 (0.53) ABCB1MAPK1PARP14PARP10BCHE
SCHEMBL10235880 0.81 ABCB1 (0.67) ABCB1BCHEHTR1A
SCHEMBL4568930 0.80 ABCB1 (0.66) ABCB1BCHEHTR1A
SCHEMBL4779293 0.80 ABCB1 (0.62) ABCB1PARP14PARP10BCHEHTR1A
SCHEMBL31172139 0.80 MAOB (0.57) ABCB1PARP14PARP10BCHEHTR1A
SCHEMBL15474270 0.78 MAOB (0.52) ABCB1MAPK1PARP14PARP10BCHE
1-Methoxy-3-Propoxybenzene SCHEMBL791921 0.78 MAPK1 (0.62) MAPK1GPBAR1CYSLTR1MAOBNPSR1

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 ABCB1 1692/4885MAPK1 2505/4885GPBAR1 294/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ABCB1 1692/4885MAPK1 2505/4885GPBAR1 294/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ABCB1 1692/4885MAPK1 2505/4885GPBAR1 294/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ABCB1 1692/4885MAPK1 2505/4885GPBAR1 294/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ABCB1 1692/4885MAPK1 2505/4885GPBAR1 294/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ABCB1 1692/4885MAPK1 2505/4885GPBAR1 294/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ABCB1 1692/4885MAPK1 2505/4885GPBAR1 294/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ABCB1 1692/4885MAPK1 2505/4885GPBAR1 294/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ABCB1 1692/4885MAPK1 2505/4885GPBAR1 294/4885

“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.