SCHEMBL8790758

SCHEMBL8790758

Cc1cccc(C(=O)CCNC(=O)C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.48
WNT3A P56704 4/20 0.48
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 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
SCHEMBL17735451 0.84 KDM4E (0.45) CTNNB1GAANPC1RAB9AHDAC6
SCHEMBL237028 0.83 L3MBTL1 (0.49) NPC1RAB9APARP1KDM4EMEN1
SCHEMBL19399108 0.79 CTNNB1 (0.55) CTNNB1WNT3ANPC1RAB9AHDAC8
SCHEMBL16079979 0.78 CTNNB1 (0.49) CTNNB1WNT3AGAANPC1RAB9A
SCHEMBL29062364 0.78 CTNNB1 (0.70) CTNNB1WNT3AHDAC8HDAC6PARP1
SCHEMBL30089541 0.78 CTNNB1 (0.70) CTNNB1WNT3AHDAC8HDAC6PARP1
SCHEMBL1924595 0.77 PLOD2 (0.54) CTNNB1WNT3ANPC1RAB9AHDAC8
SCHEMBL10749158 0.75 CTNNB1 (0.51) CTNNB1WNT3ANPC1RAB9AHDAC8
SCHEMBL25872387 0.75 CTNNB1 (0.51) CTNNB1WNT3ANPC1RAB9AHDAC8
SCHEMBL29456641 0.74 MEN1 (0.64) CTNNB1WNT3ANPC1RAB9AHDAC8

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-12 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

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 CTNNB1 3572/4885WNT3A 4027/4885GAA 26/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CTNNB1 3572/4885WNT3A 4027/4885GAA 26/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CTNNB1 3572/4885WNT3A 4027/4885GAA 26/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CTNNB1 3572/4885WNT3A 4027/4885GAA 26/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CTNNB1 3572/4885WNT3A 4027/4885GAA 26/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CTNNB1 3572/4885WNT3A 4027/4885GAA 26/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CTNNB1 3572/4885WNT3A 4027/4885GAA 26/4885
US-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1C, ADH1A, ADH5 CTNNB1 1898/4885WNT3A 645/4885GAA 3984/4885

“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.