SCHEMBL182420

SCHEMBL182420

C=C(C=O)CCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 5/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46
KMT2A Q03164 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
SCHEMBL9445758 1.00 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL3192768 1.00 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL7565833 1.00 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL10708297 1.00 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL3206128 1.00 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL3203104 1.00 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL5694624 1.00 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL1135913 0.98
SCHEMBL182307 0.90
Hexanal SCHEMBL23925721 0.83 TSHR (0.58) PPARGPPARDPPARATSHRPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4677230-A ISOMERIZATION USING RARE EARTH METAL, PALLADIUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 1987-06-30 US claimed
EP-4136067-B1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR AND COMPANY LTD (IN) 2026-04-15 EP disclosed
US-12522780-B2 Odorants and compositions comprising odorants S H KELKAR AND COMPANY LIMITED (IN) 2026-01-13 US disclosed
WO-2025094045-A1 PROCESS FOR PREPARATION OF ODOROUS COMPOUNDS S H KELKAR AND COMPANY LIMITED (IN) 2025-05-08 WO disclosed
EP-3408251-B1 EFFICIENT SYNTHESIS OF METHACROLEIN FROM METHANOL AND PROPIONALDEHYDE EASTMAN CHEM CO (US) 2023-06-07 EP disclosed
US-20230141482-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR & COMPANY LIMITED (IN) 2023-05-11 US disclosed
EP-4136067-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H Kelkar and Company Limited (IN) 2023-02-22 EP disclosed
CN-115551829-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2022-12-30 CN disclosed
CN-108495835-B Efficient synthesis of methacrolein and other alpha, beta-unsaturated aldehydes over renewable anatase titanium dioxide catalysts 伊士曼化工公司 2022-04-01 CN disclosed
CN-108495837-B Efficient synthesis of methacrolein and other α, β -unsaturated aldehydes from methanol and aldehydes 伊士曼化工公司 2021-12-03 CN disclosed
US-4677230-A ISOMERIZATION USING RARE EARTH METAL, PALLADIUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
EP-0211205-A2 Process for the preparation of 2-methyl-2-alkenals BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
EP-0167021-B1 PROCESS FOR THE PREPARATION OF 2-METHYL-2-ALKENALS BASF Aktiengesellschaft (DE) 1986-12-30 EP disclosed
US-4599458-A CATALYTIC ISOMERIZATION OF ACROLEIN DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0167021-A1 Process for the preparation of 2-methyl-2-alkenals BASF Aktiengesellschaft (DE) 1986-01-08 EP disclosed
US-4284775-A 1,4-Diazabicyclooctane di-N,N'-quaternized compounds THE UPJOHN COMPANY (US) 1981-08-18 US disclosed
EP-0020039-A1 Imidazole derivatives, their preparation and their pharmaceutical compositions BEECHAM GROUP PLC (GB) 1980-12-10 EP disclosed
US-4233247-A Process for the preparation of 2,2-dimethylolalkanals BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4216322-A Process for making triethylene diamines THE UPJOHN COMPANY (US) 1980-08-05 US disclosed
US-3936423-A Process for the preparation of polyaldehydes by polymerization of bifunctional monomers and related products RANDAZZO GIACOMINO 1976-02-03 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 (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-20230141482-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS CDY1; CDY1B, ACMSD, ADH5 CES2 770/4885CES1 1084/4885GPR84 2219/4885

“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.