SCHEMBL2386631

SCHEMBL2386631

CCCC(CC(C)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.65
AKR1A1 P14550 1/20 0.65
CHRM3 P20309 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
ADRA1A P35348 1/20 0.65
HRH1 P35367 1/20 0.65
DRD3 P35462 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
SLC1A2 P43004 5/20 0.61
SLC1A1 P43005 5/20 0.61
SLC1A3 P43003 4/20 0.61
GRIK1 P39086 4/20 0.61
GRIK2 Q13002 4/20 0.61
CA2 P00918 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 2/20 0.44

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
SCHEMBL12611015 0.88 CHRM1 (0.83) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28652152 0.87 SLC1A2 (0.63) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28647148 0.84 CHRM1 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2491997 0.84 CHRM1 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11466744 0.84 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL6917703 0.84 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL5514956 0.84 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL3861908 0.84 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL8044187 0.84 GRIK1 (0.66) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL9418997 0.83 SLC1A3 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0110955-B1 BRAIN-SPECIFIC DRUG DELIVERY UNIV FLORIDA (US) 1995-08-23 EP 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-0224283-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-06-03 EP claimed
EP-0222425-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-05-20 EP claimed
EP-0218300-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-04-15 EP claimed
EP-3335140-B1 SYSTEMS, APPARATUS, AND METHODS FOR ANALYZING AND PREDICTING CELLULAR PATHWAYS MASSACHUSETTS INST TECHNOLOGY (US) 2025-02-19 EP disclosed
EP-4181781-A1 BREATH-BASED THERAPEUTIC DRUG MONITORING METHOD Universitäts-Kinderspital beider Basel (CH) 2023-05-24 EP disclosed
CN-113594465-B Negative electrode binder and preparation method and application thereof 苏州清陶新能源科技有限公司 2023-02-28 CN disclosed
CN-113594465-A Negative electrode binder and preparation method and application thereof 苏州清陶新能源科技有限公司 2021-11-02 CN disclosed
US-9023818-B2 Pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use GLYCON LLC (US) 2015-05-05 US disclosed
US-20140057869-A9 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use IMI INTERNATIONAL MEDICAL INNOVATIONS, INC. 2014-02-27 US disclosed
US-20110237544-A1 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CHRISTIAN SAMUEL T 2011-09-29 US disclosed
EP-0222425-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-05-20 EP disclosed
EP-0218300-A2 Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1987-04-15 EP disclosed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US disclosed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 EP disclosed
US-4443365-A Method for determination of the valproic acid and reagents therein DAINIPPON PHARMACEUTICAL COMPANY LIMITED (JP) 1984-04-17 US disclosed
EP-0043285-B1 METHOD FOR DETERMINATION OF VALPROIC ACID AND REAGENTS THEREIN Dainippon Pharmaceutical Co., Ltd. (JP) 1984-01-04 EP disclosed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO disclosed
EP-0043285-A1 Method for determination of valproic acid and reagents therein Dainippon Pharmaceutical Co., Ltd. (JP) 1982-01-06 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 (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-20110237544-A1 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CSGALNACT1, DDOST, STT3B CHRM1 968/4885AKR1A1 1672/4885CHRM3 870/4885
US-20140057869-A9 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CSGALNACT1, DDOST, STT3B CHRM1 968/4885AKR1A1 1672/4885CHRM3 870/4885

“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.