SCHEMBL4568911

SCHEMBL4568911

CCCOc1cccc(OCCCOC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP2D6 P10635 1/20 0.63
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.46
SMPD1 P17405 3/20 0.45
NR1H4 Q96RI1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4568910 0.96 MAPK1 (0.63) MAPK1CYP1A2CYP2C19CYP2D6KMT2A
SCHEMBL4568919 0.90 MAPK1 (0.56) MAPK1CYP1A2CYP2C19CYP2D6KMT2A
1,3-Dipropoxybenzene SCHEMBL73716 0.88 KMT2A (0.63) MAPK1CYP1A2CYP2C19CYP2D6KMT2A
1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 0.86 TSHR (0.59) MAPK1CYP1A2CYP2C19CYP2D6KMT2A
SCHEMBL16601862 0.85 MAPK1 (0.58) MAPK1CYP1A2CYP2C19CYP2D6KMT2A
SCHEMBL10235898 0.84 CYP2D6 (0.54) MAPK1CYP1A2CYP2C19CYP2D6KMT2A
1-Propoxy-3-Pentoxybenzene SCHEMBL4568913 0.84 TSHR (0.68) KMT2ATSHRGPBAR1CYSLTR1SMPD1
1-Methoxy-3-Propoxybenzene SCHEMBL791921 0.84 MAPK1 (0.62) MAPK1CYP1A2CYP2C19KMT2ATSHR
SCHEMBL10235903 0.83 KDM4E (0.56) MAPK1CYP1A2CYP2C19CYP2D6KMT2A
SCHEMBL7062770 0.83 MAPK1 (0.57) MAPK1CYP1A2CYP2C19CYP2D6KMT2A

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 MAPK1 2505/4885CYP1A2 2936/4885CYP2C19 3756/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2C19 3756/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2C19 3756/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2C19 3756/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2C19 3756/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2C19 3756/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2C19 3756/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2C19 3756/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MAPK1 2505/4885CYP1A2 2936/4885CYP2C19 3756/4885

“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.