4-En-Metabolite

4-En-Metabolite

SCHEMBL1000796

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

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.62
AKR1A1 P14550 1/20 0.62
CHRM3 P20309 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
ADRA1A P35348 1/20 0.62
HRH1 P35367 1/20 0.62
DRD3 P35462 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
GRIK1 P39086 7/20 0.52
GRIK2 Q13002 7/20 0.52
CPA1 P15085 1/20 0.50
SLC1A2 P43004 3/20 0.48
SLC1A1 P43005 3/20 0.48
SLC1A3 P43003 2/20 0.48
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43

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
4-En-Metabolite SCHEMBL9111371 1.00 CHRM1 (0.62) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2081268 0.88 CA2 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL570260 0.88 CA2 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8567555 0.86 CA2 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9239263 0.86 CA2 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL584897 0.86 CA2 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9237929 0.86 CA2 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8572261 0.86 CA2 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5363929 0.84 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4940873 0.84 GRIK1 (0.54) GRIK1GRIK2CPA1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121577789-A Method for detecting 2-propyl-4-pentenoic acid in anti-epileptic drug valproic acid 湖南省湘中制药有限公司 2026-02-27 CN claimed
CN-118638002-A Preparation method of sodium valproate toxic metabolite 2-propyl-4-pentenoic acid 湖南大学 2024-09-13 CN claimed
US-8722600-B2 Polymers with H-bridge forming functionalities for improving anti-wear protection EVONIK ROHMAX ADDITIVES GMBH (DE) 2014-05-13 US claimed
US-20050267168-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US claimed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US claimed
US-RE37670-E1 Antiproliferative and neurotrophic molecules AMERICAN BIOGENETICS INC. 2002-04-23 US claimed
US-20020013367-A1 Antiproliferative and neurotrophic molecules NAU HEINZ (DE) 2002-01-31 US claimed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US claimed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP claimed
US-5672746-A UNSATURATED ALKYL CARBOXYLIC ACIDS(AND THEIR SALTS) FOR TREATMENT OR PREVENTION OF NERVOUS SYSTEM DISORDERS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-09-30 US claimed
EP-0778820-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-06-18 EP claimed
WO-1996006821-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1996-03-07 WO claimed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP claimed
JP-8012618-A None JP disclosed
CN-121577789-A Method for detecting 2-propyl-4-pentenoic acid in anti-epileptic drug valproic acid 湖南省湘中制药有限公司 2026-02-27 CN disclosed
CN-121577789-A Method for detecting 2-propyl-4-pentenoic acid in anti-epileptic drug valproic acid 湖南省湘中制药有限公司 2026-02-27 CN disclosed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP disclosed
WO-1994006743-A1 ANALOGUES OF VPA USED AS ANTI-EPILEPTICA NAU HEINZ (DE) 1994-03-31 WO disclosed
US-4432985-A N-alkylated carboxylic acid derivatives as anti-convulsant agents ABBOTT LABORATORIES (US) 1984-02-21 US disclosed
US-3932285-A MONOCARBOXYLIC ACID TENNECO CHEMICALS, INC. (US) 1976-01-13 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 (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-20050267168-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 CHRM1 93/4885AKR1A1 771/4885CHRM3 89/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 CHRM1 84/4885AKR1A1 976/4885CHRM3 129/4885
US-20020013367-A1 Antiproliferative and neurotrophic molecules BDNF, NGF, NTRK2 CHRM1 4273/4885AKR1A1 2994/4885CHRM3 4111/4885

“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.