SCHEMBL6509671

SCHEMBL6509671

CC(=O)Cc1cccc(CC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SLC7A5 Q01650 1/20 0.46
POLB P06746 2/20 0.44
CTBP2 P56545 3/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRIA2 P42262 1/20 0.40

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
SCHEMBL13905068 0.91 BCL2 (0.47) ALDH1A1SLC7A5CYP1A2CYP2C19
SCHEMBL729924 0.91 AKR1B1 (0.58) ALDH1A1SLC7A5POLBAKR1B1CYP1A2
SCHEMBL13554933 0.91 ENPP2 (0.44) ALDH1A1SLC7A5POLBCTBP2
SCHEMBL29351393 0.89 CA2 (0.45) ALDH1A1SLC7A5POLBCYP1A2CYP2C19
SCHEMBL28956375 0.89 L3MBTL1 (0.46) ALDH1A1SLC7A5POLBCES2CES1
SCHEMBL15586044 0.89 SLC7A5 (0.41) ALDH1A1SLC7A5POLBCTBP2CES2
SCHEMBL8105331 0.89 NOS1 (0.53) ALDH1A1SLC7A5CYP1A2CYP2C19
SCHEMBL21574300 0.89 SLC7A5 (0.41) ALDH1A1SLC7A5POLBCTBP2CES2
SCHEMBL22265815 0.89 CA2 (0.45) ALDH1A1SLC7A5POLBCYP1A2CYP2C19
SCHEMBL15504948 0.89 ALDH1A1 (0.44) ALDH1A1SLC7A5POLBCTBP2CES2

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-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
WO-2017205309-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed
US-20160204468-A1 SOLID ELECTROLYTE COMPOSITION, BINDER FOR ALL-SOLID-STATE SECONDARY BATTERIES, AND ELECTRODE SHEET FOR BATTERIES AND ALL-SOLID-STATE SECONDARY BATTERY EACH USING SAID SOLID ELECTROLYTE COMPOSITION FUJIFILM CORPORATION (JP) 2016-07-14 US disclosed
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2005092861-A1 QUINOLINONE DERIVATIVES PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE PFIZER LIMITED (GB) 2005-10-06 WO disclosed
WO-2001005748-A1 OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS MONSANTO COMPANY (US) 2001-01-25 WO 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 (5 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885SLC7A5 3485/4885POLB 316/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC ALDH1A1 295/4885SLC7A5 3052/4885POLB 3444/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885SLC7A5 3485/4885POLB 316/4885
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF OPRK1, OPRL1, OPRM1 ALDH1A1 225/4885SLC7A5 703/4885POLB 3874/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC ALDH1A1 946/4885SLC7A5 636/4885POLB 503/4885

“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.