SCHEMBL7187580

SCHEMBL7187580

CCCCC1OC(=O)C[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PRKCA P17252 7/20 0.41
CYP1A2 P05177 3/20 0.41
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ABCB1 P08183 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL114791 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PRKCACYP1A2NOS3NOS1
SCHEMBL9172090 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PRKCACYP1A2NOS3NOS1
SCHEMBL9171420 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PRKCACYP1A2NOS3NOS1
SCHEMBL7178100 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PRKCACYP1A2NOS3NOS1
SCHEMBL14994441 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PRKCACYP1A2NOS3NOS1
SCHEMBL7180354 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PRKCACYP1A2NOS3NOS1
SCHEMBL9171097 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PRKCACYP1A2NOS3NOS1
SCHEMBL30754370 0.94 CYP1A2 (0.47) SMN1; SMN2PRKCACYP1A2PPARG
SCHEMBL2146282 0.94 CYP1A2 (0.47) SMN1; SMN2PRKCACYP1A2PPARG
SCHEMBL2512382 0.92 CYP1A2 (0.50) PRKCACYP1A2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037539-B2 Alkyl lactone-derived hydroxyamides and alkyl lactone-derived hydroxyesters for the control of natural gas hydrates CHAMPIONX LLC (US) 2024-07-16 US disclosed
US-6579992-B2 Use for flavouring a wide range of food stuffs including baked goods, beverages, and confectionery COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-06-17 US disclosed
US-20020137949-A1 Novel method for converting dihydrotagetone, a bifuctional acyclic monoterpene ketone, isolated from the plant species of tagetes, into a coconut flavoured two chiral centered compound 5-isobutyl-3-methyl-4,5-dihydro-2(3H)-furanone as a novel analogue of natural whisky lactone and coconut aldehyde COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-09-26 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-20020137949-A1 Novel method for converting dihydrotagetone, a bifuctional acyclic monoterpene ketone, isolated from the plant species of tagetes, into a coconut flavoured two chiral centered compound 5-isobutyl-3-methyl-4,5-dihydro-2(3H)-furanone as a novel analogue of natural whisky lactone and coconut aldehyde ADH1C, ADH5, ME1 SMN1; SMN2 2076/4885PRKCA 1612/4885CYP1A2 934/4885
US-12037539-B2 Alkyl lactone-derived hydroxyamides and alkyl lactone-derived hydroxyesters for the control of natural gas hydrates HDHD5, HACL2, ADH5 SMN1; SMN2 4868/4885PRKCA 4271/4885CYP1A2 375/4885

“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.