SCHEMBL2741637

SCHEMBL2741637

CC(C)OCC(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL13130743 0.80
SCHEMBL24631514 0.79 APLNR (0.40)
SCHEMBL19501020 0.79
SCHEMBL19501021 0.79
SCHEMBL20317383 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL12873347 0.77 PRKCA (0.32) TSHR
SCHEMBL23695895 0.77 EPHX2 (0.35) ALDH1A1
SCHEMBL22861632 0.77 EPHX2 (0.35) ALDH1A1
SCHEMBL23696041 0.77 EPHX2 (0.35) ALDH1A1
SCHEMBL10060469 0.77 ALDH1A1 (0.30) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239835-A9 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240024488-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-01-25 US disclosed
US-20230355795-A1 IMMUNE ANTIGEN SPECIFIC IL-18 IMMUNOCYTOKINES AND USES THEREOF BRIGHT PEAK THERAPEUTICS AG (CH) 2023-11-09 US disclosed
US-11807633-B2 Chromene derivatives as inhibitors of TCR-Nck interaction ARTAX BIOPHARMA INC. (US) 2023-11-07 US disclosed
US-11787837-B2 DCHBS-active esters of PEG compounds and their use NOVO NORDISK A/S (DK) 2023-10-17 US disclosed
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS Singular Genomics Systems, Inc. 2023-09-21 US disclosed
US-11759458-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2023-09-19 US disclosed
US-20230250181-A1 MODIFIED CHECKPOINT INHIBITORS AND USES THEREOF BRIGHT PEAK THERAPEUTICS AG (CH) 2023-08-10 US disclosed
US-20230250536-A1 MODIFICATION OF METALLIC SURFACES WITH PHOSPHONIC ACIDS BIOLOGICAL DYNAMICS, INC. 2023-08-10 US disclosed
US-20110065739-A1 NOVEL ISOXAZOLE DRIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US disclosed
US-20110065739-A1 NOVEL ISOXAZOLE DRIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-17 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 US disclosed
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release REDPOINT BIO CORPORATION (US) 2008-12-11 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
US-20070207093-A1 Hydrazone derivatives and uses thereof LINQUAGEN CORP. 2007-09-06 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 (16 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-20230355795-A1 IMMUNE ANTIGEN SPECIFIC IL-18 IMMUNOCYTOKINES AND USES THEREOF IL18, CD74, IL2 TSHR 1840/4885ALDH1A1 3165/4885
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 TSHR 164/4885ALDH1A1 1111/4885
US-20230250181-A1 MODIFIED CHECKPOINT INHIBITORS AND USES THEREOF PDCD1, CD274, PDCD1LG2 TSHR 2017/4885ALDH1A1 2465/4885
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS AS3MT, SCLY, NASP TSHR 4791/4885ALDH1A1 1169/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 TSHR 1060/4885ALDH1A1 638/4885
US-20240239835-A9 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE MC2R, NR3C2, AVPR1B TSHR 224/4885ALDH1A1 1429/4885
US-11807633-B2 Chromene derivatives as inhibitors of TCR-Nck interaction NCK1, NCKAP1, NCKAP1L TSHR 2254/4885ALDH1A1 4818/4885
US-20070207093-A1 Hydrazone derivatives and uses thereof TAS2R1, TAS2R5, TAS1R1 TSHR 935/4885ALDH1A1 72/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 TSHR 4744/4885ALDH1A1 1657/4885
US-20240024488-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB TSHR 4351/4885ALDH1A1 2571/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS TSHR 3752/4885ALDH1A1 1438/4885
US-20110065739-A1 NOVEL ISOXAZOLE DRIVATIVE GPR119, GPR132, GPR180 TSHR 318/4885ALDH1A1 1403/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 TSHR 2908/4885ALDH1A1 2597/4885
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release GLP1R, GIPR, TRPM5 TSHR 654/4885ALDH1A1 4573/4885
US-11759458-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 TSHR 146/4885ALDH1A1 302/4885
US-11787837-B2 DCHBS-active esters of PEG compounds and their use HBB, IAPP, GLP1R TSHR 1177/4885ALDH1A1 4448/4885

“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.