SCHEMBL2452534

SCHEMBL2452534

CCC(C)C1CCC(O)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.62
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 2/20 0.30
DPP4 P27487 2/20 0.30

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
SCHEMBL8415138 1.00 SHBG (0.62) SHBGHCAR2TSHRDPP4
SCHEMBL4845016 0.91 SHBG (0.54) SHBGTSHR
SCHEMBL4884590 0.91 SHBG (0.54) SHBGTSHR
SCHEMBL1193150 0.87
SCHEMBL8675545 0.87 SHBG (0.42) SHBGHCAR2TSHR
SCHEMBL4843035 0.86 SHBG (0.52) SHBGDPP4
SCHEMBL12424437 0.86 SHBG (0.52) SHBGDPP4
SCHEMBL4836191 0.86 SHBG (0.46) SHBGTSHRDPP4
SCHEMBL17198162 0.86 SHBG (0.52) SHBGDPP4
SCHEMBL21266983 0.82 SHBG (0.44) SHBGDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024225302-A1 NOVEL FUMARIC ACID ESTER MONOMER, RESIN, AND FILM CONTAINING SAME 東ソー株式会社 2024-10-31 WO disclosed
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20230159426-A1 LILY OF THE VALLEY ODORANT FIRMENICH & CIE (CH) 2023-05-25 US disclosed
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF EVOTEC (FRANCE) SAS (FR) 2023-01-19 US disclosed
CN-115210211-A Lily of the valley odorant 弗门尼舍有限公司 2022-10-18 CN disclosed
EP-3063122-B1 METHOD FOR PRODUCING CARBOXYLIC ACID ESTERS AND THE USE THEREOF AS PLASTICIZERS BASF SE (DE) 2019-08-28 EP disclosed
CN-106232571-B The method of carboxylate and its purposes as plasticiser are prepared in the presence of ionic liquid and acid esterification catalyst 巴斯夫欧洲公司 2019-05-28 CN disclosed
US-10106486-B2 Method for producing carboxylic acid esters and the use thereof as plasticizers BASF SE (DE) 2018-10-23 US disclosed
US-10072133-B2 Plasticizer composition containing furan derivatives and 1,2-cyclohexanedicarboxylic ester BASF SE (DE) 2018-09-11 US disclosed
US-5447927-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1995-09-05 US disclosed
WO-1995007892-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
US-5376660-A An aminomethyl-1,4-dioxaspiro(4,5)decanes pesticides or fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-27 US disclosed
US-5177103-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
EP-0359979-B1 AMINOMETHYLHETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE IN PESTICIDES, AND INTERMEDIATES BAYER AG (DE) 1992-12-30 EP disclosed
US-5010101-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0359979-A1 Aminomethylheterocyclic compounds, process for their preparation, their use in pesticides, and intermediates BAYER AG (DE) 1990-03-28 EP disclosed
EP-0105157-B1 SPIROLACTONES CONTAINING PERFUME COMPOSITIONS L. GIVAUDAN & CIE Société Anonyme (CH) 1987-10-21 EP disclosed
US-4519944-A Spirolactones as odorants GIVAUDAN CORPORATION (US) 1985-05-28 US disclosed
EP-0105157-A1 Spirolactones containing perfume compositions L. GIVAUDAN & CIE Société Anonyme (CH) 1984-04-11 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 (3 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-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR SHBG 3126/4885HCAR2 3378/4885TSHR 3270/4885
US-20230159426-A1 LILY OF THE VALLEY ODORANT ACLY, PIR, NOX5 SHBG 3198/4885HCAR2 1380/4885TSHR 4862/4885
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR SHBG 3126/4885HCAR2 3378/4885TSHR 3270/4885

“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.