SCHEMBL4568910

SCHEMBL4568910

CCCOc1cccc(OCCCCOC)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.57
TSHR P16473 3/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GPBAR1 Q8TDU6 3/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
GAA P10253 1/20 0.49
SMPD1 P17405 3/20 0.49
NR1H4 Q96RI1 1/20 0.48
PLA2G4B P0C869 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL4568911 0.96 MAPK1 (0.63) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL4568919 0.90 MAPK1 (0.56) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
1-Propoxy-3-Pentoxybenzene SCHEMBL4568913 0.88 TSHR (0.68) KMT2ATSHRGPBAR1CYSLTR1SMPD1
1,3-Dipropoxybenzene SCHEMBL73716 0.88 KMT2A (0.63) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL10235903 0.87 KDM4E (0.56) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL15923563 0.86 TSHR (0.71) KMT2ATSHRGPBAR1CYSLTR1SMPD1
1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 0.86 TSHR (0.59) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL10235923 0.85 PPARA (0.55) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL16601862 0.85 MAPK1 (0.58) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL14926499 0.85 CA12 (0.50) MAPK1CYP1A2CYP2D6CYP2C19KMT2A

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 16 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
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO 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.