SCHEMBL5081386

SCHEMBL5081386

CC(O)C(C)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.54
GABRD O14764 2/20 0.54
GABRA1 P14867 2/20 0.54
GABRB1 P18505 2/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
GABRA5 P31644 2/20 0.54
GABRA3 P34903 2/20 0.54
GABRA2 P47869 2/20 0.54
GABRB2 P47870 2/20 0.54
GABRA4 P48169 2/20 0.54
GABRE P78334 2/20 0.54
GABRA6 Q16445 2/20 0.54
GABRG1 Q8N1C3 2/20 0.54
GABRG3 Q99928 2/20 0.54
GABRQ Q9UN88 2/20 0.54
CYP1A2 P05177 2/20 0.54
TET2 Q6N021 3/20 0.50
KDM4A O75164 2/20 0.50
KDM4C Q9H3R0 2/20 0.50

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
SCHEMBL14360718 0.86 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15722835 0.85 LMNA (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15871660 0.84 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15722833 0.81 FFAR4 (0.57) LMNA
SCHEMBL15722858 0.81 FFAR4 (0.57) LMNA
SCHEMBL9968625 0.81 FFAR4 (0.57) LMNA
SCHEMBL7794193 0.81 FFAR4 (0.57) LMNA
SCHEMBL244922 0.81 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL760414 0.81 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17956711 0.80 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60072816-A None JP disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
EP-3661901-B1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEM CO (US) 2023-12-06 EP disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 US disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
US-7414155-B2 Process for the hydroformylation of an ethylenically unsaturated compound SHELL OIL COMPANY (US) 2008-08-19 US disclosed
US-20070297993-A1 Novel Use of Nonenolide SYMRISE GMBH & CO. KG (DE) 2007-12-27 US disclosed
EP-1542798-B1 PROCESS FOR THE HYDROFORMYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND USING A BIDENTATE DIPHOSPHINE COMPOSITION WITH A BRIDGING GROUP COMPRISING SP2 HYBRIDIZED CARBON ATOMS BOUND TO THE PHOSPHOROUS ATOMS SHELL INT RESEARCH (NL) 2007-11-14 EP disclosed
US-20070238892-A1 PROCESS FOR THE HYDROFORMYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND DRENT EIT 2007-10-11 US disclosed
US-7250538-B2 Process for the hydroformylation of an ethylenically unsaturated compound SHELL OIL COMPANY (US) 2007-07-31 US disclosed
EP-1542798-A2 PROCESS FOR THE HYDROFORMYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND USING A BIDENTATE DIPHOSPHINE COMPOSITION WITH A BRIDGING GROUP COMPRISING SP2 HYBRIDIZED CARBON ATOMS BOUND TO THE PHOSPHOROUS ATOMS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-06-22 EP disclosed
US-20040167362-A1 Process for the hydroformylation of an ethylenically unsaturated compound SHELL OIL COMPANY 2004-08-26 US disclosed
WO-2004028689-A2 PROCESS FOR THE HYDROFORMYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND USING A BIDENTATE DIPHOSPHINE COMPOSITION WITH A BRIDGING GROUP COMPRISING SP2 HYBRIDIZED CARBON ATOMS BOUND TO THE PHOSPHOROUS ATOMS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-04-08 WO disclosed
JP-S6072816-A SLEEP ADJUSTING AND PSYCHONEUROTIC AGENT MOCHIDA PHARMACEUT CO LTD 1985-04-24 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 (6 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 GABRP 623/4885GABRD 1623/4885GABRA1 1819/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 GABRP 199/4885GABRD 897/4885GABRA1 349/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 GABRP 623/4885GABRD 1623/4885GABRA1 1819/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 GABRP 623/4885GABRD 1623/4885GABRA1 1819/4885
US-20070297993-A1 Novel Use of Nonenolide TAS2R14, TAS2R4, TAS2R7 GABRP 2395/4885GABRD 2143/4885GABRA1 2376/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 GABRP 623/4885GABRD 1623/4885GABRA1 1819/4885

“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.