SCHEMBL5011564

SCHEMBL5011564

CCCOC(=O)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
NAAA Q02083 1/20 0.40
DGKA P23743 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 2/20 0.36
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
ADRA2A P08913 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
SCHEMBL15694063 0.87 DGKA (0.39) RAB9ANAAADGKAALDH1A1LMNA
SCHEMBL522692 0.86 ALDH1A1 (0.52) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL15876208 0.86 NAAA (0.40) RAB9ANAAADGKAALDH1A1HCAR2
Ammonia Solution, Strong SCHEMBL27789119 0.85 ALDH1A1 (0.50) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL13602569 0.85 NAAA (0.61) NAAADGKAALDH1A1HCAR2TSHR
SCHEMBL12673152 0.84 NAAA (0.48) RAB9ANAAADGKAALDH1A1LMNA
SCHEMBL31058603 0.84 NAAA (0.39) RAB9ANAAADGKAALDH1A1HCAR2
SCHEMBL20260349 0.83 NAAA (0.64) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL28486138 0.83 NAAA (0.64) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL18856234 0.83 NAAA (0.64) NAAADGKAALDH1A1HCAR2LMNA

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-20230265112-A1 SILOXANE DERIVATIVES OF AMINO ACIDS HAVING SURFACE-ACTIVE PROPERTIES ADVANSIX RESINS & CHEMICALS LLC (US) 2023-08-24 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 US 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-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 US disclosed
CN-105021602-A Dimethyl sulfide detection reagent, and preparation method thereof DONGCHEN LEADER TESTING CO LTD 2015-11-04 CN disclosed
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-7402690-B2 Chain transfer agents for raft polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2008-07-22 US disclosed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US disclosed
EP-1492796-B1 SUBSTITUTED AMINO ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS. JANSSEN PHARMACEUTICA NV (BE) 2007-09-05 EP disclosed
US-7265103-B2 Substituted amino isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV. (BE) 2007-09-04 US disclosed
US-7265103-B2 Substituted amino isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV. (BE) 2007-09-04 US disclosed
US-20070123670-A1 Chain transfer agents for raft polymerization in aqueous media MCCORMICK CHARLES L 2007-05-31 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 (5 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-20230265112-A1 SILOXANE DERIVATIVES OF AMINO ACIDS HAVING SURFACE-ACTIVE PROPERTIES BCAT1, PCMT1, LTN1 RAB9A 2049/4885NAAA 2509/4885DGKA 4291/4885
US-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 RAB9A 1090/4885NAAA 71/4885DGKA 1622/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB RAB9A 3062/4885NAAA 1769/4885DGKA 177/4885
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 RAB9A 1423/4885NAAA 447/4885DGKA 699/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT RAB9A 1705/4885NAAA 557/4885DGKA 1421/4885

“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.