SCHEMBL21475312

SCHEMBL21475312

CC1C(=O)OC2CC(C)(C(C)C)CCC21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 1/20 0.41
▸ CYP3A4 P08684 4/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ TAS2R46 P59540 2/20 0.35
▸ ALOX5 P09917 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TSHR P16473 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
SCHEMBL22991774 1.00 ICAM1 (0.41) ICAM1CYP3A4RECQLTDP1CYP1A2
SCHEMBL21475296 1.00 ICAM1 (0.41) ICAM1CYP3A4RECQLTDP1CYP1A2
SCHEMBL23008046 0.85 ICAM1 (0.38) ICAM1CYP3A4RECQLTDP1CYP1A2
SCHEMBL21479531 0.85 ICAM1 (0.38) ICAM1CYP3A4RECQLTDP1CYP1A2
SCHEMBL22991781 0.85 ICAM1 (0.38) ICAM1CYP3A4RECQLTDP1CYP1A2
SCHEMBL21479532 0.85 ICAM1 (0.38) ICAM1CYP3A4RECQLTDP1CYP1A2
SCHEMBL23007843 0.84 ICAM1 (0.39) ICAM1CYP3A4RECQLTDP1CYP1A2
SCHEMBL21479498 0.84 ICAM1 (0.39) ICAM1CYP3A4RECQLTDP1CYP1A2
SCHEMBL21479510 0.84 ICAM1 (0.39) ICAM1CYP3A4RECQLTDP1CYP1A2
SCHEMBL21475383 0.81 ICAM1 (0.40) ICAM1CYP3A4RECQLTDP1CYP1A2

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-20210047283-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-02-18 — — US disclosed
EP-3778581-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND Takasago International Corporation (JP) 2021-02-17 — — EP 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 3353/4885CYP3A4 230/4885RECQL 4114/4885

“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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