SCHEMBL6504541

SCHEMBL6504541

O=C(O)CCC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
CTNNB1 P35222 2/20 0.61
WNT3A P56704 2/20 0.61
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.49
NR4A2 P43354 1/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 4/20 0.47
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
FFAR1 O14842 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
HPGD P15428 2/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL817710 0.97 CTNNB1 (0.66) ALDH1A1CTNNB1WNT3APKMTSHR
SCHEMBL7698853 0.95 CTNNB1 (0.64) ALDH1A1CTNNB1WNT3APKMTSHR
SCHEMBL30089482 0.93 CTNNB1 (0.69) ALDH1A1CTNNB1WNT3AMAPTTDP1
SCHEMBL30089540 0.89 CTNNB1 (0.73) ALDH1A1CTNNB1WNT3ATSHRMAPT
SCHEMBL15988805 0.88 CTNNB1 (0.65) ALDH1A1CTNNB1WNT3ANR4A2MAPT
SCHEMBL15988780 0.85 CTNNB1 (0.68) ALDH1A1CTNNB1WNT3ANR4A2MAPT
SCHEMBL19287120 0.83 CTNNB1 (0.55) ALDH1A1CTNNB1WNT3AMAPTTDP1
SCHEMBL5662017 0.83 ALDH1A1 (0.58) ALDH1A1CTNNB1WNT3AMAPTTDP1
SCHEMBL1114930 0.82 RAB9A (0.56) ALDH1A1CTNNB1WNT3APKMTSHR
SCHEMBL10405652 0.81 CTNNB1 (0.44) ALDH1A1CTNNB1WNT3APKMTSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 US disclosed
WO-2002024630-A1 PHARMACEUTICAL COMPOUNDS USEFUL AS MODULATORS OF ENDOCANNABINOID-MEDIATED RESPONSE ELI LILLY AND COMPANY (US) 2002-03-28 WO disclosed
EP-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed
US-4435329-A ANTIHYPERTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 EP disclosed
US-4374249-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-02-15 US disclosed
US-4226775-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US disclosed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 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 (1 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-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses GABRB1, GABRA1, GABRA5 ALDH1A1 590/4885CTNNB1 1107/4885WNT3A 2401/4885

“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.