SCHEMBL19220802

SCHEMBL19220802

CC(C)C(=O)OC(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.55
PMP22 Q01453 1/20 0.55
NLRP3 Q96P20 1/20 0.55
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL17512979 0.88 CYP3A4 (0.74) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL14355533 0.85 CYP3A4 (0.57) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9669395 0.85 CYP3A4 (0.58) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL19220803 0.84 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL873285 0.83 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9669441 0.83 CYP3A4 (0.49) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9669467 0.83 CYP3A4 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9669136 0.82 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL25340610 0.81 CTSK (0.49) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL27926127 0.80 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1

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-20170226059-A1 APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1 BUCK INSTITUTE FOR RESEARCH ON AGING 2017-08-10 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-20170226059-A1 APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1 SIRT1, PSEN2, PSEN1 CYP3A4 4596/4885CYP1A2 4125/4885CYP2D6 4660/4885

“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.