SCHEMBL8445953

SCHEMBL8445953

CCC(O)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 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
Phosphine SCHEMBL27893486 0.97 ALDH1A1 (0.39) ALDH1A1CYP2C19TSHR
SCHEMBL4217278 0.82 ALDH1A1 (0.33) ALDH1A1CYP2C19TSHR
SCHEMBL16074875 0.76 TSHR (0.39) ALDH1A1CYP2C19TSHR
SCHEMBL29222592 0.74
SCHEMBL11149133 0.74
SCHEMBL26102924 0.73 FDPS (0.42) ALDH1A1CYP2C19TSHR
SCHEMBL506048 0.71
SCHEMBL1236770 0.71 ALDH1A1 (0.41) ALDH1A1CYP2C19TSHR
SCHEMBL410636 0.71
SCHEMBL10685286 0.69 FDPS (0.39) ALDH1A1CYP2C19

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076767-A Method and formulation for producing an optical metal oxide layer 默克专利有限公司 2024-05-24 CN disclosed
US-10364218-B2 Method of producing epsilon-caprolactam TORAY INDUSTRIES, INC. (JP) 2019-07-30 US disclosed
US-20180237389-A1 METHOD OF PRODUCING EPSILON-CAPROLACTAM TORAY INDUSTRIES, INC. (JP) 2018-08-23 US disclosed
EP-3348544-A1 METHOD FOR PRODUCING -CAPROLACTAM Toray Industries, Inc. (JP) 2018-07-18 EP disclosed
CN-108026048-A The manufacture method of epsilon-caprolactams 东丽株式会社 2018-05-11 CN disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
WO-2013062133-A1 PATTERN FORMING METHOD, MULTI-LAYERED RESIST PATTERN, MULTI-LAYERED FILM FOR ORGANIC SOLVENT DEVELOPMENT, MANUFACTURING METHOD OF ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2013-05-02 WO disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
EP-0463479-B1 Preparation of cellular synthetic resins by the polyisocyanate polyaddition process using tertiary alcohols BASF AG (DE) 1999-01-13 EP disclosed
US-5189068-A Forming polyurethanes and polyisocyanurates; chain extension, blowing, catalytic BASF AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
EP-0463479-A2 Preparation of cellular synthetic resins by the polyisocyanate polyaddition process using tertiary alcohols BASF Aktiengesellschaft (DE) 1992-01-02 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 (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-10364218-B2 Method of producing epsilon-caprolactam CAPRIN1, PTMA, CYP51A1 ALDH1A1 584/4885CYP2C19 1948/4885TSHR 4633/4885
US-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 ALDH1A1 1149/4885CYP2C19 794/4885TSHR 740/4885
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS ALDH1A1 309/4885CYP2C19 281/4885TSHR 2380/4885
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 ALDH1A1 1173/4885CYP2C19 1613/4885TSHR 1166/4885
US-20180237389-A1 METHOD OF PRODUCING EPSILON-CAPROLACTAM CAPRIN1, PTMA, CYP51A1 ALDH1A1 584/4885CYP2C19 1948/4885TSHR 4633/4885

“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.