SCHEMBL8900941

SCHEMBL8900941

OCCOc1cccc(OCCNCl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
TSHR P16473 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
NSD2 O96028 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
SYK P43405 1/20 0.41

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
SCHEMBL48418 0.84 ALDH1A1 (0.70) ALDH1A1RECQLTSHRCYP2D6MAPK1
Ethylene Glycol SCHEMBL7206927 0.82 ALDH1A1 (0.67) ALDH1A1RECQLTSHRCYP2D6MAPK1
SCHEMBL13881829 0.82 HTR1B (0.61) ALDH1A1RECQLTSHRMTNR1AMTNR1B
SCHEMBL8902447 0.81 CYP4F2 (0.48) ALDH1A1RECQLMTNR1AMTNR1BDRD2
SCHEMBL4572134 0.79 KDM4E (0.48) ALDH1A1MTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL16063133 0.79 DRD2 (0.64) ALDH1A1DRD2DRD4SMN1; SMN2MAPK1
SCHEMBL4569114 0.77 ALDH1A1 (0.46) ALDH1A1RECQLTSHRMTNR1AMTNR1B
SCHEMBL3715239 0.77 ALDH1A1 (0.64) ALDH1A1RECQLSYKCA12CA1
SCHEMBL28693297 0.77 DRD4 (0.63) ALDH1A1RECQLMTNR1AMTNR1BDRD2
SCHEMBL10287572 0.76 ALDH1A1 (0.58) ALDH1A1TSHRDRD2DRD4SMN1; SMN2

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-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
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 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 (8 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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 140/4885RECQL 914/4885TSHR 2964/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885RECQL 914/4885TSHR 2964/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 140/4885RECQL 914/4885TSHR 2964/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 140/4885RECQL 914/4885TSHR 2964/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885RECQL 914/4885TSHR 2964/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885RECQL 914/4885TSHR 2964/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER ALDH1A1 140/4885RECQL 914/4885TSHR 2964/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER ALDH1A1 140/4885RECQL 914/4885TSHR 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.