SCHEMBL4568909

SCHEMBL4568909

CCCOc1cccc(OCC2(O)CCCCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.42
GPBAR1 Q8TDU6 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HTT P42858 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4568779 1.00 KMT2A (0.47) KMT2AGRIN1GRIN2AGRIN2BTSHR
SCHEMBL4568776 1.00 KMT2A (0.47) KMT2AGRIN1GRIN2AGRIN2BTSHR
SCHEMBL4568991 0.98 KMT2A (0.48) KMT2AGRIN1GRIN2AGRIN2BTSHR
SCHEMBL29818722 0.85 TAAR1 (0.43) GRIN1GRIN2AGRIN2BPDK2
SCHEMBL2207575 0.85 TAAR1 (0.43) GRIN1GRIN2AGRIN2BPDK2
SCHEMBL2202557 0.85 TAAR1 (0.43) GRIN1GRIN2AGRIN2BPDK2
SCHEMBL2208263 0.85 TAAR1 (0.43) GRIN1GRIN2AGRIN2BPDK2
SCHEMBL25822053 0.85 HTR1B (0.47) GRIN1GRIN2AGRIN2BALDH1A1PDK2
SCHEMBL25819175 0.85 HTR1B (0.47) GRIN1GRIN2AGRIN2BALDH1A1PDK2
SCHEMBL25819234 0.85 HTR1B (0.47) GRIN1GRIN2AGRIN2BALDH1A1PDK2

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 KMT2A 3103/4885GRIN1 2171/4885GRIN2A 2200/4885
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GRIN1 2171/4885GRIN2A 2200/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885GRIN1 2171/4885GRIN2A 2200/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GRIN1 2171/4885GRIN2A 2200/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GRIN1 2171/4885GRIN2A 2200/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885GRIN1 2171/4885GRIN2A 2200/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GRIN1 2171/4885GRIN2A 2200/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885GRIN1 2171/4885GRIN2A 2200/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885GRIN1 2171/4885GRIN2A 2200/4885

“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.