SCHEMBL1237078

SCHEMBL1237078

CCCOC(=O)[C@H](Cc1ccccc1)NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.64
▸ POLB P06746 1/20 0.56
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ PAM P19021 1/20 0.55
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CACNA1C Q13936 1/20 0.51
▸ SCN9A Q15858 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA13 Q8N1Q1 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51
▸ ATM Q13315 1/20 0.51

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
SCHEMBL12889163 1.00 TACR1 (0.64) TACR1POLBCTSSCTSKPAM
SCHEMBL1235531 1.00 TACR1 (0.64) TACR1POLBCTSSCTSKPAM
Propanol SCHEMBL9182309 0.96 TACR1 (0.60) TACR1POLBCTSSCTSKPAM
SCHEMBL9486892 0.92 TACR1 (0.61) TACR1POLBCTSSCTSKPAM
SCHEMBL9488064 0.92 TACR1 (0.61) TACR1POLBCTSSCTSKPAM
SCHEMBL11676193 0.89 TACR1 (0.58) TACR1POLBCTSSCTSKPAM
SCHEMBL11676190 0.89 TACR1 (0.58) TACR1POLBCTSSCTSKPAM
SCHEMBL242242 0.88 TACR1 (0.71) TACR1POLBCTSSCTSKPAM
SCHEMBL242241 0.88 TACR1 (0.71) TACR1POLBCTSSCTSKPAM
SCHEMBL3046854 0.87 TACR1 (0.52) TACR1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US claimed
EP-3721943-A1 LIPIDS, LIPID COMPOSITIONS AND METHODS OF USING THEM Novartis AG (CH) 2020-10-14 — — EP disclosed
US-20180051271-A1 NON-AQUEOUS ENZYME-POLYMER CONJUGATE SOLUTIONS AND RELATED METHODS CARNEGIE MELLON UNIVERSITY 2018-02-22 — — US disclosed
EP-3256168-A1 NON-AQUEOUS ENZYME-POLYMER CONJUGATE SOLUTIONS AND RELATED METHODS Carnegie Mellon University (US) 2017-12-20 — — EP disclosed
WO-2016130677-A1 NON-AQUEOUS ENZYME-POLYMER CONJUGATE SOLUTIONS AND RELATED METHODS CARNEGIE MELLON UNIVERSITY (US) 2016-08-18 — — WO disclosed
US-9301923-B2 Lipids, lipid compositions, and methods of using them NOVARTIS AG (CH) 2016-04-05 — — US disclosed
US-9301923-B2 Lipids, lipid compositions, and methods of using them NOVARTIS AG (CH) 2016-04-05 — — US disclosed
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2014-10-16 — — US disclosed
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2014-10-16 — — US disclosed
US-20130224826-A1 BIOACTIVE COMPOSITION INCLUDING STABILIZED PROTEIN AND PROCESS FOR PRODUCING THE SAME TOYOTA MOTOR ENGINEERING & MANUFACTURING NORTH AMERICA, INC. (US) 2013-08-29 — — US disclosed
EP-1025066-A2 MOLECULAR COMPOUNDS HAVING COMPLEMENTARY SURFACES TO TARGETS Alnis, LLC (US) 2000-08-09 — — EP disclosed
WO-2000017333-A8 MICROBEAD IMMOBILIZATION OF ENZYMES FMC CORP (US) 2000-07-27 — — WO disclosed
WO-2000017333-A1 MICROBEAD IMMOBILIZATION OF ENZYMES FMC CORPORATION (US) 2000-03-30 — — WO disclosed
WO-2000017333-A1 MICROBEAD IMMOBILIZATION OF ENZYMES FMC CORPORATION (US) 2000-03-30 — — WO disclosed
WO-1999019276-A2 MOLECULAR COMPOUNDS HAVING COMPLEMENTARY SURFACES TO TARGETS ALNIS, LLC (US) 1999-04-22 — — WO disclosed
US-5719039-A FOR PEPTIDE SYNTHESIS FROM ACYL DONORS AND NUCLEOPHILES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-02-17 — — US disclosed
WO-1996027373-A1 USE OF N-SUBSTITUTED L-PHENYLALANINE ESTERS FOR THE TREATMENT OF ECZEMA STIEFEL LABORATORIES, INC. (US) 1996-09-12 — — WO disclosed
EP-0253199-A2 Process for the biocatalytic conversion of substrates having a poor solubility in aqueous solutions HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-20 — — EP disclosed
EP-0244711-A1 Process for the preparation of amino acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-11 — — 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 (1 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-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC TACR1 1227/4885POLB 4742/4885CTSS 1060/4885

“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.

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