SCHEMBL23717484

SCHEMBL23717484

CCC(C)c1ccc(OC2CC2)c(-c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
CYP19A1 P11511 4/20 0.44
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
IKBKB O14920 3/20 0.41
CHUK O15111 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALPL P05186 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL23717048 0.88 CYP11B1 (0.47) PDE4ACYP11B1CYP11B2CYP19A1MKNK1
SCHEMBL23717043 0.74 ROCK2 (0.39) PDE4ACYP11B1CYP11B2CYP19A1ROCK1
SCHEMBL23685090 0.73 KMO (0.52) PDE4ACYP11B1CYP11B2CYP19A1MKNK1
SCHEMBL23685091 0.73 CYP11B1 (0.56) PDE4ACYP11B1CYP11B2CYP19A1MKNK1
SCHEMBL26525656 0.72 HRH1 (0.49) PDE4AIKBKBCHUKLCKROCK1
SCHEMBL13725634 0.71 EPHX2 (0.49) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL12360035 0.71 NPC1 (0.54) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL10025255 0.70 NPC1 (0.50) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL10025249 0.69 EPHX2 (0.47) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL23717448 0.69 PDE4A (0.36) PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN PDE4A 875/4885CYP11B1 174/4885CYP11B2 166/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN PDE4A 875/4885CYP11B1 174/4885CYP11B2 166/4885

“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.