SCHEMBL21475396

SCHEMBL21475396

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ TAS2R46 P59540 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CYP3A4 P08684 4/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP19A1 P11511 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21475414 0.86 RECQL (0.41) RECQLICAM1TAS2R46ATMCYP3A4
SCHEMBL21475309 0.79 ICAM1 (0.44) RECQLICAM1TAS2R46ATMCYP3A4
SCHEMBL21475315 0.79 ICAM1 (0.44) RECQLICAM1TAS2R46ATMCYP3A4
SCHEMBL23007994 0.79 ICAM1 (0.44) RECQLICAM1TAS2R46ATMCYP3A4
SCHEMBL21475373 0.75 ICAM1 (0.48) RECQLICAM1TAS2R46ATMCYP3A4
SCHEMBL21475296 0.74 ICAM1 (0.41) RECQLICAM1TAS2R46ATMCYP3A4
SCHEMBL21475336 0.74 ICAM1 (0.41) RECQLICAM1TAS2R46ATMCYP3A4
SCHEMBL23008236 0.74 ICAM1 (0.41) RECQLICAM1TAS2R46ATMCYP3A4
SCHEMBL21475312 0.74 ICAM1 (0.41) RECQLICAM1TAS2R46ATMCYP3A4
SCHEMBL21475294 0.74 ICAM1 (0.41) RECQLICAM1TAS2R46ATMCYP3A4

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
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
US-20160190447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-30 — — 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-20210047283-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND NR0B1, CBR1, DCXR RECQL 4114/4885ICAM1 3353/4885TAS2R46 997/4885
US-20160190447-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM RECQL 1926/4885ICAM1 256/4885TAS2R46 3363/4885

“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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