SCHEMBL30485367

SCHEMBL30485367

CC1(C)OC2(CCC(=O)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL6264633 1.00 AVPR1A (0.47) AVPR1AMEN1KMT2ACYP2C9PDK2
SCHEMBL25628434 0.85 AVPR1A (0.47) AVPR1APDK2PDK4
SCHEMBL15428161 0.81 AVPR1A (0.45) AVPR1A
SCHEMBL15428164 0.79 AVPR1A (0.44) AVPR1A
SCHEMBL34466895 0.79 AVPR1A (0.36) AVPR1AMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL738649 0.78 SIGMAR1 (0.46) AVPR1ATSHR
SCHEMBL4979408 0.75 AVPR1A (0.53) AVPR1A
SCHEMBL20629522 0.74 AVPR1A (0.49) AVPR1A
SCHEMBL34466247 0.73 L3MBTL1 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16768499 0.71 CYP2D6 (0.47) AVPR1A

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-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 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-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 AVPR1A 1257/4885MEN1 3912/4885KMT2A 3071/4885

“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.