SCHEMBL4572134

SCHEMBL4572134

NC(=O)CCCOc1cccc(OCCNCl)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NSD2 O96028 1/20 0.47
ALDH1A1 P00352 1/20 0.47
F10 P00742 2/20 0.45
PRSS1 P07477 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
PDK2 Q15119 1/20 0.42

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
SCHEMBL25822303 0.86 KDM4E (0.49) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL8901248 0.85 KDM4E (0.62) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL4572149 0.85 CYP2D6 (0.48) MTNR1AMTNR1BHPGD
SCHEMBL3968441 0.84 MTNR1A (0.54) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL13881832 0.82 L3MBTL1 (0.46) KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL29818781 0.81 TAAR1 (0.50) SMN1; SMN2PRSS1MEN1KMT2APDK2
SCHEMBL2206953 0.81 TAAR1 (0.50) SMN1; SMN2PRSS1MEN1KMT2APDK2
SCHEMBL4569111 0.80 KDM4E (0.47) KDM4EMTNR1AMTNR1BSMN1; SMN2NSD2
SCHEMBL4568923 0.80 KMT2A (0.59) SMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL6846925 0.80 KDM4E (0.58) KDM4ESMN1; SMN2KMT2ALMNA

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-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-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
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 (7 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 KDM4E 2349/4885MTNR1A 89/4885MTNR1B 85/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KDM4E 2349/4885MTNR1A 89/4885MTNR1B 85/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KDM4E 2349/4885MTNR1A 89/4885MTNR1B 85/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KDM4E 2349/4885MTNR1A 89/4885MTNR1B 85/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KDM4E 2349/4885MTNR1A 89/4885MTNR1B 85/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER KDM4E 2349/4885MTNR1A 89/4885MTNR1B 85/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KDM4E 2349/4885MTNR1A 89/4885MTNR1B 85/4885

“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.