SCHEMBL1931602

SCHEMBL1931602

COC(C)C(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HCAR2 Q8TDS4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
CA12 O43570 6/20 0.32
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32
CA9 Q16790 6/20 0.32
CA14 Q9ULX7 4/20 0.32
CA7 P43166 3/20 0.32
LMNA P02545 3/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL12046586 0.79 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1
SCHEMBL12046596 0.79 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1
SCHEMBL13342707 0.79 KMT2A (0.35) TSHRTDP1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL12046587 0.79 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1
SCHEMBL13067170 0.79 KMT2A (0.35) TSHRTDP1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL12046589 0.79 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1
SCHEMBL10904670 0.79 SMN1; SMN2 (0.31) TSHRSMN1; SMN2
SCHEMBL2750798 0.79 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1
SCHEMBL15472457 0.78 TSHR (0.46) TSHRHCAR2TDP1L3MBTL1CA12
SCHEMBL15472458 0.78 TSHR (0.46) TSHRHCAR2TDP1L3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399457-A1 Bioactive Synthetic Copolymer, Bioactive Macromolecule and Related Methods Thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-12-14 US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
US-20200096864-A1 FILM, COLOR FILTER, SOLID IMAGE PICKUP ELEMENT, AND INFRARED SENSOR FUJIFILM CORPORATION (JP) 2020-03-26 US disclosed
US-10578966-B2 Coloring composition, film, color filter, pattern forming method, method of manufacturing color filter, solid image pickup element, and infrared sensor FUJIFILM CORPORATION (JP) 2020-03-03 US disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 US disclosed
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-08-10 US disclosed
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-20170189434-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METRO INTERNATIONAL BIOTECH, LLC 2017-07-06 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2008-07-10 US disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-20080008682-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2008-01-10 US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1452551-B1 A process of fractionating polymers ROHM & HAAS ELECT MAT (US) 2006-09-06 EP disclosed
US-6974858-B2 Process of fractionating polymers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2005-12-13 US disclosed
US-20040171773-A1 Process of fractionating polymers ROHM AND HAAS ELECTRONIC MATERIALS, L.L.C. 2004-09-02 US disclosed
EP-1452551-A1 A process of fractionating polymers Rohm and Haas Electronic Materials, L.L.C. (US) 2004-09-01 EP 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-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH TSHR 4310/4885HCAR2 4452/4885TDP1 2898/4885
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, NSUN2 TSHR 1097/4885HCAR2 1485/4885TDP1 185/4885
US-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E TSHR 4486/4885HCAR2 4600/4885TDP1 278/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TSHR 3767/4885HCAR2 2888/4885TDP1 298/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA TSHR 4872/4885HCAR2 4704/4885TDP1 1262/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TSHR 4872/4885HCAR2 4704/4885TDP1 1262/4885
US-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 TSHR 897/4885HCAR2 125/4885TDP1 3078/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 TSHR 4782/4885HCAR2 4597/4885TDP1 607/4885
US-20170189434-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885HCAR2 532/4885TDP1 2917/4885

“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.