SCHEMBL3904508

SCHEMBL3904508

CCCC(CCC(F)(F)F)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.70
AKR1A1 P14550 1/20 0.70
CHRM3 P20309 1/20 0.70
HTR2A P28223 1/20 0.70
HTR2C P28335 1/20 0.70
ADRA1A P35348 1/20 0.70
HRH1 P35367 1/20 0.70
DRD3 P35462 1/20 0.70
SLC6A3 Q01959 1/20 0.70
HDAC1 Q13547 1/20 0.70
HDAC2 Q92769 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
SLC1A2 P43004 3/20 0.48
SLC1A1 P43005 3/20 0.48
GRIK1 P39086 3/20 0.48
GRIK2 Q13002 3/20 0.48
SLC1A3 P43003 2/20 0.48
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 2/20 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
SCHEMBL5385866 0.92 CHRM1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7762277 0.89 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5388888 0.88 CHRM1 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28124938 0.88 CA2 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5387018 0.87 CHRM1 (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5378303 0.87 CHRM1 (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL140241 0.83 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL1330837 0.83 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
Valproic Acid SCHEMBL2275 0.83 CHRM1 (1.00) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5389894 0.83 CHRM1 (0.62) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-6116200-A None JP disclosed
US-8569058-B2 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-7569608-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569608-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569609-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569609-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20070043114-A1 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1089960-A1 ALPHA-FLUORO ALKYNOIC ACIDS WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES, INC. (US) 2001-04-11 EP disclosed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US disclosed
US-6184401-B1 ANTICONVULSANTS,-EPILEPTIC AGENTS; COMPARABLE TO VALPROIC ACID IN THEIR PREVENTION OF SEIZURES BUT HAVE REDUCED TERATOGENIC POTENTIAL, LONGER DURATION OF ACTION AND REDUCED SIDE EFFECTS AMERICAN BIOGENETIC SCIENCES 2001-02-06 US disclosed
WO-1999067195-A1 ALPHA-FLUORO ALKYNOIC ACIDS WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES INC. (US) 1999-12-29 WO disclosed
WO-1999067199-A1 2-FLUORO-2-ALKYL ALKANOAMIDES WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES INC. (US) 1999-12-29 WO disclosed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP disclosed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP disclosed
JP-H06116200-A NEW FLUORINATED VALPROIC ACID DERIVATIVE AND ANTIEPILEPTIC AGENT KUREHA CHEM IND CO LTD 1994-04-26 JP 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-20070043114-A1 Nerve regeneration promoters BDNF, NGF, GAP43 CHRM1 2671/4885AKR1A1 2042/4885CHRM3 2784/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 CHRM1 84/4885AKR1A1 976/4885CHRM3 129/4885

“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.