SCHEMBL25429285

SCHEMBL25429285

O=C1CCC2=C(CCCC2=O)O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL11158366 0.77 TSHR (0.32) TSHRTP53HTT
SCHEMBL30888457 0.76 ALDH1A1 (0.43) TSHRALDH1A1TP53SMN1; SMN2HTT
SCHEMBL11153251 0.73 TSHR (0.32) TSHR
SCHEMBL10926654 0.70 TP53 (0.39) TSHRALDH1A1TP53SMN1; SMN2
SCHEMBL9973224 0.68 TSHR (0.67) TSHRALDH1A1TP53
SCHEMBL10784806 0.68 TSHR (0.79) TSHRALDH1A1TP53SMN1; SMN2
SCHEMBL28623233 0.68 TSHR (0.79) TSHRALDH1A1TP53SMN1; SMN2
SCHEMBL11697777 0.67 TSHR (0.48) TSHR
SCHEMBL29019424 0.66 TSHR (0.73) TSHRALDH1A1TP53SMN1; SMN2
SCHEMBL8899778 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257679-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H KELKAR AND COMPANY LIMITED (IN) 2023-08-17 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-20230257679-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS TAS2R5, OR51E2, TAS2R4 TSHR 3730/4885ALDH1A1 61/4885TP53 1455/4885

“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.