SCHEMBL21475368

SCHEMBL21475368

CC(O)CC1(C)CCC2C(C1)OC(=O)C2C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 1/20 0.40
▸ RECQL P46063 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ CYP3A4 P08684 4/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TAS2R46 P59540 2/20 0.34
▸ ALOX5 P09917 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
SCHEMBL21479491 0.89 ICAM1 (0.39) ICAM1RECQLATMCYP19A1CYP3A4
SCHEMBL23007989 0.89 ICAM1 (0.39) ICAM1RECQLATMCYP19A1CYP3A4
SCHEMBL21479494 0.89 ICAM1 (0.39) ICAM1RECQLATMCYP19A1CYP3A4
SCHEMBL21475369 0.86 ICAM1 (0.37) ICAM1RECQLATMCYP19A1CYP3A4
SCHEMBL21475294 0.81 ICAM1 (0.41) ICAM1RECQLATMCYP19A1CYP3A4
SCHEMBL21475336 0.81 ICAM1 (0.41) ICAM1RECQLATMCYP19A1CYP3A4
SCHEMBL23008236 0.81 ICAM1 (0.41) ICAM1RECQLATMCYP19A1CYP3A4
SCHEMBL23007750 0.79 ICAM1 (0.39) ICAM1RECQLATMCYP19A1CYP3A4
SCHEMBL21475324 0.79 ICAM1 (0.39) ICAM1RECQLATMCYP19A1CYP3A4
SCHEMBL21475311 0.79 ICAM1 (0.39) ICAM1RECQLATMCYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047283-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-02-18 — — US disclosed
WO-2019198678-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND 高砂香料工業株式会社 2019-10-17 — — WO 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-20210047283-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND NR0B1, CBR1, DCXR ICAM1 3353/4885RECQL 4114/4885ATM 2845/4885

“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.

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