SCHEMBL803891

SCHEMBL803891

CCOC(=O)C(C)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP8 P22894 1/20 0.41
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
TRPA1 O75762 1/20 0.37
CPB2 Q96IY4 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
PIN1 Q13526 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL13537856 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10MMP8ALOX15
SCHEMBL803804 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10MMP8ALOX15
SCHEMBL13070248 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10MMP8ALOX15
SCHEMBL20569154 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10MMP8ALOX15
SCHEMBL803788 0.81 GRM1 (0.38) ALDH1A1LMNAHSD17B10
SCHEMBL803570 0.81 GRM1 (0.38) ALDH1A1LMNAHSD17B10
SCHEMBL11825489 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10MMP8ALOX15
SCHEMBL803636 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10MMP8GAACYP4F2
SCHEMBL804112 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10MMP8GAACYP4F2
SCHEMBL28926827 0.79 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MMP8ALOX15

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
CN-109952360-A Quantum dot dispersion liquid, self-luminous photosensitive polymer combination, the colour filter and image display device manufactured using it 东友精细化工有限公司 2019-06-28 CN disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 US disclosed
US-20170015762-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2017-01-19 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
US-20080045527-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2008-02-21 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
EP-1606258-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-12-21 EP disclosed
US-20050222145-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-06 US disclosed
WO-2004083182-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 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 (10 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-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ ALDH1A1 2916/4885LMNA 2603/4885HSD17B10 3442/4885
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA ALDH1A1 1549/4885LMNA 2186/4885HSD17B10 2002/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885LMNA 3455/4885HSD17B10 1734/4885
US-20080045527-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR ALDH1A1 2526/4885LMNA 3390/4885HSD17B10 1923/4885
US-20170015762-A1 CONTROLLED RADICAL POLYMERIZATION GLO1, TET1, RIOX2 ALDH1A1 235/4885LMNA 3944/4885HSD17B10 643/4885
US-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ ALDH1A1 3363/4885LMNA 2535/4885HSD17B10 3479/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885LMNA 3455/4885HSD17B10 1734/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR ALDH1A1 2528/4885LMNA 3394/4885HSD17B10 1960/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885LMNA 3455/4885HSD17B10 1734/4885
US-10040806-B2 Microbiocidally active benzoxaboroles MPO, BROX, MANBA ALDH1A1 1549/4885LMNA 2186/4885HSD17B10 2002/4885

“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.