SCHEMBL5228630

SCHEMBL5228630

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
PTPN1 P18031 1/20 0.34
FAAH O00519 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 2/20 0.32

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
SCHEMBL5228623 1.00 TAS1R3 (0.47) TAS1R3TAS1R1PTPN1FAAHCNR1
SCHEMBL454225 0.86 F7 (0.44) PTPN1CNR1CNR2PPARGPPARA
SCHEMBL454223 0.86 F7 (0.44) PTPN1CNR1CNR2PPARGPPARA
SCHEMBL8150368 0.85 PPARG (0.49) PTPN1FAAHPPARGPPARA
SCHEMBL26497556 0.85 CNR2 (0.44) TAS1R3TAS1R1PTPN1FAAHCNR1
SCHEMBL8150365 0.85 PPARG (0.49) PTPN1FAAHPPARGPPARA
SCHEMBL7115034 0.84 TAS1R3 (0.46) TAS1R3TAS1R1PTPN1FAAHCNR1
SCHEMBL31509214 0.84 TAS1R3 (0.46) TAS1R3TAS1R1PTPN1FAAHCNR1
SCHEMBL14681838 0.83 PPARG (0.51) PTPN1FAAHPPARGPPARA
SCHEMBL11375282 0.82 TAS1R3 (0.44) TAS1R3TAS1R1PTPN1FAAHCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-03 US disclosed
CN-103827486-B Fluid discharge system 汉高股份有限及两合公司 2018-11-16 CN disclosed
EP-1439001-B1 Process for producing optically active epoxides TOSOH CORP (JP) 2007-07-25 EP disclosed
EP-1127616-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2006-05-31 EP disclosed
EP-1366815-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2005-12-28 EP disclosed
US-6878835-B2 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2005-04-12 US disclosed
EP-1439001-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2004-07-21 EP disclosed
US-20040116721-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2004-06-17 US disclosed
US-6680275-B2 COMPLEX OF OPTICALLY ACTIVE BINAPHTHOL, LANTHANUM TRIISOPROPOXIDE OXIDE, TRIPHENYLPHOSPHINE OXIDE AND CUMENE OR TERT-BUTYL HYDROPEROXIDE; OPTICAL PURITY; REACTIVITY; STABILITY TOSOH CORPORATION (JP) 2004-01-20 US disclosed
EP-1366815-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2003-12-03 EP disclosed
US-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2001-12-13 US disclosed
EP-1127616-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2001-08-29 EP disclosed
US-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 US disclosed
US-4226892-A Flavoring with cycloaliphatic unsaturated ketones FIRMENICH SA (CH) 1980-10-07 US disclosed
US-4187863-A Cycloaliphatic unsaturated ketones as odor and taste modifying agents in tobacco products FIRMENICH SA (CH) 1980-02-12 US disclosed
US-3975310-A PERFUME FIRMENICH S.A. (CH) 1976-08-17 US disclosed
US-3931326-A FLAVOR, TASTE, ODOR, PERFUMES FIRMENICH SA (CH) 1976-01-06 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-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it SQLE, ENO1, GPX4 TAS1R3 4850/4885TAS1R1 4875/4885PTPN1 3993/4885
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF CDK2, CDK5, CDK9 TAS1R3 3763/4885TAS1R1 3840/4885PTPN1 3928/4885

“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.