SCHEMBL1003142

SCHEMBL1003142

CC/C=C(\CCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.50
GRIK2 Q13002 2/20 0.50
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
FFAR3 O14843 3/20 0.43
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 3/20 0.36
EP300 Q09472 1/20 0.35
ALDH1A1 P00352 2/20 0.35
AKR1B1 P15121 1/20 0.33
ABAT P80404 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
GPR84 Q9NQS5 2/20 0.32
HDAC11 Q96DB2 2/20 0.32

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
SCHEMBL9493661 1.00 GRIK1 (0.50) GRIK1GRIK2HDAC3HDAC1HDAC2
SCHEMBL691600 1.00 GRIK1 (0.50) GRIK1GRIK2HDAC3HDAC1HDAC2
SCHEMBL10408349 0.98 GRIK1 (0.48) GRIK1GRIK2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL9624870 0.98 GRIK1 (0.48) GRIK1GRIK2HDAC3HDAC1HDAC2
SCHEMBL10412636 0.98 GRIK1 (0.48) GRIK1GRIK2HDAC3HDAC1HDAC2
SCHEMBL10408352 0.98 GRIK1 (0.48) GRIK1GRIK2HDAC3HDAC1HDAC2
SCHEMBL4433665 0.86 GRIK1 (0.47) GRIK1GRIK2CES2CES1TSHR
SCHEMBL7556833 0.86 GRIK1 (0.47) GRIK1GRIK2CES2CES1TSHR
SCHEMBL285080 0.86 GRIK1 (0.47) GRIK1GRIK2CES2CES1TSHR
Valproic Acid SCHEMBL5936789 0.84 HDAC1 (0.57) GRIK1GRIK2HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290312-A Hydrophobic monomer and preparation method thereof, polymer gel and preparation method and application thereof, and plugging material and application thereof 中国石油化工股份有限公司 2024-07-05 CN claimed
CN-107074752-B Therapeutic use of benzylidene guanidine derivatives for the treatment of protein conformation disorders 英费列特斯生命科学公司 2021-10-26 CN claimed
EP-3088955-B1 RESIST COMPOSITION AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-06-03 EP claimed
EP-3032333-B1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-05-24 EP claimed
EP-3032332-B1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2017-04-05 EP claimed
EP-2268614-B1 METHOD FOR PRODUCING BETA-MERCAPTO CARBOXYLIC ACIDS SHOWA DENKO KK (JP) 2013-05-15 EP 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-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
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP claimed
US-5262561-A Dehydrobromination of ester, saponification, antiepileptic agents ELF SANOFI (FR) 1993-11-16 US claimed
EP-0250997-B1 VALPROIC AND (E)-2-VALPROENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM CHIESI FARMACEUTICI S.p.A. (IT) 1992-04-15 EP claimed
US-4966996-A Process for the preparation of E-2-propyl-2-pentenoic acid and physiologically compatible salts thereof Desitin Arznemittel GmbH (DE) 1990-10-30 US claimed
US-4945180-A Process for the preparation of E-2-propyl-2-pentenoic acid and physiologically compatible salts thereof DESITIN ARZNEIMITTEL GMBH (DE) 1990-07-31 US claimed
EP-0293753-A2 Process for preparing E-2-propyl-2-pentenoic acid and its physiologically compatible salts Desitin Arzneimittel GmbH (DE) 1988-12-07 EP claimed
EP-0293752-A2 Process for preparing E-2-propyl-2-pentenoic acid and its physiologically compatible salts Desitin Arzneimittel GmbH (DE) 1988-12-07 EP claimed
EP-0250997-A2 Valproic and (E)-2-valproenoic acid derivatives, processes for the preparation thereof and pharmaceutical compositions therefrom CHIESI FARMACEUTICI S.p.A. (IT) 1988-01-07 EP claimed
JP-5117204-A None JP disclosed
US-3976682-A ALKYLAMMONIUM ALKYLAMINOALKANOATES, FREEZE-THAW ADDITIVE, CORROSION INHIBITOR, PIGMENT GRINDING TEXACO INC. (US) 1976-08-24 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 (2 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 GRIK1 53/4885GRIK2 170/4885HDAC3 956/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 GRIK1 20/4885GRIK2 48/4885HDAC3 969/4885

“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.