SCHEMBL23717048

SCHEMBL23717048

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
CYP19A1 P11511 2/20 0.47
PDE4A P27815 2/20 0.46
MKNK1 Q9BUB5 6/20 0.46
MKNK2 Q9HBH9 6/20 0.46
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
LCK P06239 1/20 0.40
ROCK1 Q13464 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ALPL P05186 1/20 0.40
TBK1 Q9UHD2 1/20 0.39
ACHE P22303 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRNA1 P02708 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
SCHEMBL23717484 0.88 PDE4A (0.44) CYP11B1CYP11B2CYP19A1PDE4AMKNK1
SCHEMBL23717043 0.85 ROCK2 (0.39) CYP11B1CYP11B2CYP19A1PDE4AROCK1
SCHEMBL26525656 0.84 HRH1 (0.49) PDE4AIKBKBCHUKLCKROCK1
SCHEMBL23685090 0.77 KMO (0.52) CYP11B1CYP11B2CYP19A1PDE4AMKNK1
SCHEMBL23685091 0.77 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1PDE4AMKNK1
SCHEMBL24345432 0.72 HTR2C (0.45) PDE4AACHE
SCHEMBL26239879 0.72 AKR1C3 (0.51) CYP11B1CYP11B2CYP19A1MKNK1MKNK2
SCHEMBL13380078 0.72 AKR1C3 (0.51) CYP11B1CYP11B2MKNK1MKNK2AKR1C3
SCHEMBL12263199 0.71 AKR1C3 (0.72) CYP11B1CYP11B2AKR1C3AKR1C2ADRA2B
SCHEMBL20173750 0.70 AKR1C3 (0.53) MKNK1MKNK2AKR1C3AKR1C2

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 CYP11B1 174/4885CYP11B2 166/4885CYP19A1 2185/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN CYP11B1 174/4885CYP11B2 166/4885CYP19A1 2185/4885

“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.