SCHEMBL19974826

SCHEMBL19974826

CCOC(=O)C1(C(=O)OCC)C(C(C)C)CC(=O)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 5/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
OPRM1 P35372 2/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
TRPC5 Q9UL62 1/20 0.40

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
SCHEMBL9803289 0.89 OPRM1 (0.41) CYP2D6CYP2C9CYP2C19LMNAMEN1
SCHEMBL19974843 0.84 LMNA (0.46) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL19974745 0.83 LMNA (0.45) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL11064509 0.74 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL10950274 0.73 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7699024 0.72 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL11072966 0.72 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL11076847 0.71 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL19975419 0.70 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL5232042 0.68 ALDH1A1 (0.45) LMNAKMT2AALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C CYP3A4 2207/4885CYP2D6 798/4885CYP2C9 4146/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CYP3A4 1986/4885CYP2D6 562/4885CYP2C9 4061/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CYP3A4 2207/4885CYP2D6 798/4885CYP2C9 4146/4885

“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.