SCHEMBL5495178

SCHEMBL5495178

COc1ccc(C(=O)CCC(=O)O)cc1C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.60
WNT3A P56704 3/20 0.60
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HTT P42858 1/20 0.55
KMT2A Q03164 2/20 0.54
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
MEN1 O00255 1/20 0.49
PDE4B Q07343 1/20 0.47
PAX8 Q06710 1/20 0.47
USP5 P45974 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
SCHEMBL12440170 0.91 PDE4B (0.60) CTNNB1WNT3AALDH1A1CYP1A2HPGD
SCHEMBL15979735 0.89 CTNNB1 (0.62) CTNNB1WNT3ATAS1R3TAS1R1PAX8
SCHEMBL11469659 0.87 CTNNB1 (0.60) CTNNB1WNT3AALDH1A1CYP1A2HPGD
SCHEMBL1527427 0.87 CTNNB1 (0.73) CTNNB1WNT3AALDH1A1CYP1A2HPGD
SCHEMBL29923058 0.87 CTNNB1 (0.73) CTNNB1WNT3AALDH1A1CYP1A2HPGD
SCHEMBL6339402 0.85 CTNNB1 (0.58) CTNNB1WNT3ATAS1R3TAS1R1PDE4B
SCHEMBL8214127 0.84 TAS1R3 (0.55) CTNNB1WNT3AALDH1A1CYP1A2HPGD
SCHEMBL5188941 0.84 ALDH1A1 (0.59) CTNNB1WNT3AALDH1A1CYP1A2HPGD
SCHEMBL6085421 0.83 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1KMT2ATAS1R3
SCHEMBL31525615 0.83 ALDH1A1 (0.63) CTNNB1WNT3AALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1783221-A1 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX Corp. (US) 2007-05-09 EP disclosed
US-7026487-B2 Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, a pyridyl group and an alkyl group, having retinoid-like biological activity ALLERGAN, INC. (US) 2006-04-11 US disclosed
US-7001729-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. (US) 2006-02-21 US disclosed
US-6906175-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor. MIGENIX CORP. (US) 2005-06-14 US disclosed
US-6906174-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. (US) 2005-06-14 US disclosed
US-6902908-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. (US) 2005-06-07 US disclosed
US-6887670-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. (US) 2005-05-03 US disclosed
US-20050064530-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR MIGENIX CORP. 2005-03-24 US disclosed
US-20050019835-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR MIGENIX CORP. 2005-01-27 US disclosed
US-20050003352-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR MIGENIX CORP. 2005-01-06 US disclosed
EP-0485587-A1 INGESTIBLES CONTAINING SUBSTANTIALLY TASTELESS SWEETNESS INHIBITORS AS BITTER TASTE REDUCERS OR SUBSTANTIALLY TASTELESS BITTER INHIBITORS AS SWEET TASTE REDUCERS. BIORESEARCH INC (US) 1992-05-20 EP disclosed
WO-1991018523-A1 INGESTIBLES CONTAINING SUBSTANTIALLY TASTELESS SWEETNESS INHIBITORS AS BITTER TASTE REDUCERS OR SUBSTANTIALLY TASTELESS BITTER INHIBITORS AS SWEET TASTE REDUCERS BIORESEARCH, INC. (US) 1991-12-12 WO disclosed
EP-0156317-A2 Foodstuffs containing sweetness inhibiting agents and process for inhibiting the sweetness perception of a foodstuff GENERAL FOODS CORPORATION (US) 1985-10-02 EP disclosed
US-4544565-A ARYLALKYLKETONES GENERAL FOODS CORPORATION (US) 1985-10-01 US disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 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-20050003352-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR GART, TMEM165, SLC43A3 CTNNB1 3084/4885WNT3A 1452/4885ALDH1A1 2810/4885
US-20050064530-A1 PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR GART, TMEM165, SLC43A3 CTNNB1 3084/4885WNT3A 1452/4885ALDH1A1 2810/4885

“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.