SCHEMBL4568919

SCHEMBL4568919

CCCOc1cccc(OCCOC)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
TSHR P16473 2/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMPD1 P17405 2/20 0.43
HTT P42858 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
SCHEMBL15723552 0.92 MAPK1 (0.58) MAPK1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL4568910 0.90 MAPK1 (0.63) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL4568911 0.90 MAPK1 (0.63) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL16601862 0.90 MAPK1 (0.58) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
1,3-Dipropoxybenzene SCHEMBL73716 0.89 KMT2A (0.63) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL12126283 0.88 MAPK1 (0.70) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL10796629 0.86 KMT2A (0.61) MAPK1KMT2AGPBAR1CYSLTR1TSHR
SCHEMBL16668774 0.86 TSHR (0.55) MAPK1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL25981244 0.86 MAPK1 (0.53) MAPK1CYP1A2CYP2D6CYP2C19TSHR
1-Methoxy-3-Propoxybenzene SCHEMBL791921 0.86 MAPK1 (0.62) MAPK1CYP1A2CYP2C19KMT2AGPBAR1

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 2505/4885CYP1A2 2936/4885CYP2D6 3691/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2D6 3691/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2D6 3691/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2D6 3691/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2D6 3691/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2D6 3691/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2D6 3691/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2D6 3691/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2D6 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.