SCHEMBL578113

SCHEMBL578113

C[N+]1(C)CCC[C@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
TSHR P16473 1/20 0.65
KMT2A Q03164 1/20 0.65
CHRM2 P08172 7/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 2/20 0.31
CHRM4 P08173 1/20 0.30
CHRM3 P20309 1/20 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
SCHEMBL232820 1.00 MEN1 (0.65) MEN1TSHRKMT2ACHRM2CHRM5
SCHEMBL171869 1.00 MEN1 (0.65) MEN1TSHRKMT2ACHRM2CHRM5
Hydrochloric Acid SCHEMBL15819856 0.98 MEN1 (0.63) MEN1TSHRKMT2ACHRM2CHRM5
Hydrochloric Acid SCHEMBL17255832 0.98 MEN1 (0.63) MEN1TSHRKMT2ACHRM2CHRM5
Water SCHEMBL8812670 0.98 MEN1 (0.63) MEN1TSHRKMT2ACHRM2CHRM5
SCHEMBL13113200 0.93 MEN1 (0.57) MEN1TSHRKMT2A
SCHEMBL15189362 0.81 MEN1 (0.65) MEN1TSHRKMT2ACHRM2CHRM5
SCHEMBL30819241 0.79 MEN1 (1.00) MEN1TSHRKMT2ACHRM2CHRM5
SCHEMBL1852325 0.79 MEN1 (1.00) MEN1TSHRKMT2ACHRM2CHRM5
Hydrochloric Acid SCHEMBL1340043 0.77 MEN1 (0.96) MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066297-A1 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF ADAMA AGAN LTD. (IL) 2025-02-27 US claimed
EP-4447681-A2 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF Adama Agan Ltd. (IL) 2024-10-23 EP claimed
WO-2023112033-A2 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF ADAMA AGAN LTD. (IL) 2023-06-22 WO claimed
EP-2931377-B1 HAIR CARE PRODUCTS WITH ANTI DANDRUFF AGENTS AND SELECTED SILICONES CONTAINING SUGAR STRUCTURES HENKEL AG & CO KGAA (DE) 2017-07-05 EP claimed
US-20150272860-A1 HAIR CARE PRODUCTS WITH SELECTED AMINO ACIDS AND/OR SELECTED OLIGOPEPTIDES AND/OR SELECTED CATIONIC PROTEIN HYDROLYZATES AND SILICONES CONTAINING SUGAR STRUCTURES HENKEL AG & CO. KGAA (DE) 2015-10-01 US claimed
US-20150272865-A1 HAIR CARE PRODUCTS WITH ANTI-DANDRUFF AGENTS AND SELECTED SILICONES CONTAINING SUGAR STRUCTURES HENKEL AG & CO. KGAA (DE) 2015-10-01 US claimed
US-9089495-B2 Hair treatment agent containing selected fatty acid amides and selected oil bodies HENKEL AG & CO. KGAA (DE) 2015-07-28 US claimed
EP-2886162-A1 Hair care product with selected plant oil-based homo- or copolymers Henkel AG & Co. KGaA (DE) 2015-06-24 EP claimed
US-20150050228-A1 HAIR TREATMENT AGENT CONTAINING SELECTED FATTY ACID AMIDES AND SELECTED OIL BODIES CRODA INTERNATIONAL PLC (GB) 2015-02-19 US claimed
US-20140158148-A1 HAIR CARE PRODUCTS WITH SELECTED QUARTERNARY AMMONIUM COMPOUNDS AND SILICONES CONTAINING SUGAR STRUCTURES HENKEL AG & CO. KGAA (DE) 2014-06-12 US claimed
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 US claimed
EP-4684030-A2 METHOD OF DEPROTECTING AT LEAST ONE D-AMINO ACID AND/OR D-AMINO ACID DERIVATIVE PROTECTED FUNCTIONAL GROUP Martin-Luther-Universität Halle-Wittenberg (DE) 2026-01-28 EP disclosed
US-20260022095-A1 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF ADAMA AGAN LTD. (IL) 2026-01-22 US disclosed
US-20250197350-A1 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF ADAMA AGAN LTD. (IL) 2025-06-19 US disclosed
US-20250066297-A1 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF ADAMA AGAN LTD. (IL) 2025-02-27 US disclosed
WO-2002074265-A1 HAIR TREATMENT AGENT COMPRISING BETAINS HANS SCHWARZKOPF GMBH & CO. KG (DE) 2002-09-26 WO disclosed
US-20020102610-A1 Automated identification of peptides OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-08-01 US disclosed
US-20020055186-A1 Detection of peptides OXFORD GLYCOSCIENCES (UK) LTD. 2002-05-09 US disclosed
WO-2002025287-A2 DETECTION OF PEPTIDES OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-03-28 WO disclosed
WO-2002021139-A2 AUTOMATED IDENTIFICATION OF PEPTIDES OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-03-14 WO 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 (8 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 MEN1 230/4885TSHR 3654/4885KMT2A 988/4885
US-20260022095-A1 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF TET1, FOXK1, TET3 MEN1 4270/4885TSHR 4148/4885KMT2A 340/4885
US-20250197350-A1 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF GYS2, PFAS, CD68 MEN1 4369/4885TSHR 4691/4885KMT2A 3181/4885
US-20250066297-A1 COMPOUNDS USEFUL FOR THE PREPARATION OF VARIOUS AGROCHEMICALS AND MARKERS THEREOF GYS2, PFAS, CD68 MEN1 4369/4885TSHR 4691/4885KMT2A 3181/4885
US-20150050228-A1 HAIR TREATMENT AGENT CONTAINING SELECTED FATTY ACID AMIDES AND SELECTED OIL BODIES ELOVL3, ELOVL5, ELOVL1 MEN1 3631/4885TSHR 2117/4885KMT2A 755/4885
US-20140158148-A1 HAIR CARE PRODUCTS WITH SELECTED QUARTERNARY AMMONIUM COMPOUNDS AND SILICONES CONTAINING SUGAR STRUCTURES NACA, PTCD3, ACMSD MEN1 2201/4885TSHR 1611/4885KMT2A 153/4885
US-20150272860-A1 HAIR CARE PRODUCTS WITH SELECTED AMINO ACIDS AND/OR SELECTED OLIGOPEPTIDES AND/OR SELECTED CATIONIC PROTEIN HYDROLYZATES AND SILICONES CONTAINING SUGAR STRUCTURES CUTA, ENPEP, DNPEP MEN1 1604/4885TSHR 1667/4885KMT2A 1084/4885
US-20150272865-A1 HAIR CARE PRODUCTS WITH ANTI-DANDRUFF AGENTS AND SELECTED SILICONES CONTAINING SUGAR STRUCTURES KRT18, DPM1, CUTA MEN1 2073/4885TSHR 2447/4885KMT2A 391/4885

“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.