SCHEMBL23377254

SCHEMBL23377254

CC(C)c1ccc2c(c1)C(=O)OC1(CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HSD11B1 P28845 2/20 0.44
DRD2 P14416 2/20 0.43
KCNH2 Q12809 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL7330399 0.82 SIGMAR1 (0.67) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20620283 0.82 HPGD (0.45) MEN1KMT2AHSD11B1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL20954914 0.81 SIGMAR1 (0.65) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20620255 0.77 HPGD (0.52) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL30541945 0.77 HPGD (0.52) MEN1KMT2AHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL20602918 0.76 HPGD (0.51) SIGMAR1MEN1KMT2AHDAC3HDAC4
SCHEMBL863907 0.71 SIGMAR1 (0.59) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL864155 0.71 SIGMAR1 (0.79) SIGMAR1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL11256980 0.70 SIGMAR1 (0.57) SIGMAR1MEN1KMT2AHDAC3HDAC4
SCHEMBL4226642 0.70 SIGMAR1 (0.61) SIGMAR1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355609-A1 Spirolactone Compounds QUIXGEN, INC. (US) 2023-11-09 US disclosed
US-11541046-B2 Spirolactone compounds QUIXGEN, INC. (US) 2023-01-03 US disclosed
US-20210145822-A1 Novel Spirolactone Compounds QUIXGEN, INC. (US) 2021-05-20 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 (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-11541046-B2 Spirolactone compounds ACACA, AKR1C2, AKR1A1 SIGMAR1 3037/4885MEN1 1511/4885KMT2A 3481/4885
US-20210145822-A1 Novel Spirolactone Compounds ACACA, HSD17B10, AKR1C2 SIGMAR1 2767/4885MEN1 1916/4885KMT2A 3665/4885
US-20230355609-A1 Spirolactone Compounds ACACA, AKR1C2, AKR1A1 SIGMAR1 3037/4885MEN1 1511/4885KMT2A 3481/4885

“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.