SCHEMBL21475309

SCHEMBL21475309

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 1/20 0.44
▸ CYP3A4 P08684 5/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ TAS2R46 P59540 2/20 0.38
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX5 P09917 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.32

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
SCHEMBL21475315 1.00 ICAM1 (0.44) ICAM1CYP3A4CYP1A2RECQLTDP1
SCHEMBL23007994 1.00 ICAM1 (0.44) ICAM1CYP3A4CYP1A2RECQLTDP1
SCHEMBL21475373 0.81 ICAM1 (0.48) ICAM1CYP3A4CYP1A2RECQLTDP1
SCHEMBL21475414 0.80 RECQL (0.41) ICAM1CYP3A4CYP1A2RECQLTDP1
SCHEMBL22991774 0.80 ICAM1 (0.41) ICAM1CYP3A4CYP1A2RECQLTDP1
SCHEMBL21475336 0.80 ICAM1 (0.41) ICAM1CYP3A4CYP1A2RECQLTDP1
SCHEMBL23008236 0.80 ICAM1 (0.41) ICAM1CYP3A4CYP1A2RECQLTDP1
SCHEMBL21475294 0.80 ICAM1 (0.41) ICAM1CYP3A4CYP1A2RECQLTDP1
SCHEMBL21475312 0.80 ICAM1 (0.41) ICAM1CYP3A4CYP1A2RECQLTDP1
SCHEMBL21475296 0.80 ICAM1 (0.41) ICAM1CYP3A4CYP1A2RECQLTDP1

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 230/4885CYP1A2 155/4885

“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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