SCHEMBL308979

SCHEMBL308979

CCCCCCCCCCCCCCCC(=O)c1cc2c(C)cc(=O)oc2cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
HTT P42858 3/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MCL1 Q07820 3/20 0.56
HPGD P15428 4/20 0.55
HSD17B10 Q99714 4/20 0.55
CYP3A4 P08684 1/20 0.55
THRB P10828 1/20 0.55
AKR1B1 P15121 1/20 0.55
ELANE P08246 5/20 0.48
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CES2 O00748 1/20 0.46
CYP1A2 P05177 1/20 0.46
CASP1 P29466 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL2729641 0.99 KDM4E (0.60) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL28146940 0.84 HTT (0.44) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL321639 0.80 ALDH1A1 (0.83) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL31022581 0.80 ALDH1A1 (0.83) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL2729633 0.80 ALDH1A1 (0.83) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL28061597 0.78 MCL1 (0.72) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL8402004 0.78 MCL1 (0.72) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL8359452 0.78 MCL1 (0.72) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL11442137 0.78 MCL1 (0.72) KDM4EHTTNCOA3ALDH1A1SMN1; SMN2
SCHEMBL12986976 0.77 KDM4E (0.77) KDM4EHTTNCOA3ALDH1A1SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170159105-A1 Enzyme Assays on a Droplet Actuator ADVANCED LIQUID LOGIC, INC. (US) 2017-06-08 US disclosed
US-9574220-B2 Enzyme assays on a droplet actuator ADVANCED LIQUID LOGIC, INC. (US) 2017-02-21 US disclosed
EP-2516669-B1 ENZYME ASSAYS ON A DROPLET ACTUATOR ADVANCED LIQUID LOGIC INC (US) 2016-10-12 EP disclosed
US-20150184219-A1 Enzyme Assays on a Droplet Actuator ADVANCED LIQUID LOGIC, INC. (US) 2015-07-02 US disclosed
US-9012165-B2 Assay for B-galactosidase activity ADVANCED LIQUID LOGIC, INC. (US) 2015-04-21 US disclosed
US-20140141460-A1 Method of Conducting an Assay ADVANCED LIQUID LOGIC, INC. (US) 2014-05-22 US disclosed
US-8592217-B2 Method of conducting an assay ADVANCED LIQUID LOGIC, INC. (US) 2013-11-26 US disclosed
US-20130130936-A1 Method of Conducting an Assay ADVANCED LIQUID LOGIC, INC. (US) 2013-05-23 US disclosed
US-8394641-B2 Method of hydrolyzing an enzymatic substrate ADVANCED LIQUID LOGIC INC. (US) 2013-03-12 US disclosed
EP-2516669-A2 ENZYME ASSAYS ON A DROPLET ACTUATOR Advanced Liquid Logic, Inc. (US) 2012-10-31 EP disclosed
US-20120136147-A1 Method of hydrolyzing an enzymatic substrate NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-31 US disclosed
US-8093062-B2 Enzymatic assays using umbelliferone substrates with cyclodextrins in droplets in oil NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-01-10 US disclosed
WO-2011084703-A2 ENZYME ASSAYS ON A DROPLET ACTUATOR ADVANCED LIQUID LOGIC, INC. (US) 2011-07-14 WO disclosed
US-20110118132-A1 Enzymatic Assays Using Umbelliferone Substrates with Cyclodextrins in Droplets of Oil ADVANCED LIQUID LOGIC, INC. (US) 2011-05-19 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 (1 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-20150184219-A1 Enzyme Assays on a Droplet Actuator IDE, UCHL3, UGDH KDM4E 2289/4885HTT 3013/4885NCOA3 2171/4885

“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.