SCHEMBL22083804

SCHEMBL22083804

CCOC(=O)C12CCC(c3ccc(OC)cc3)(CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 3/20 0.43
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
HSD11B1 P28845 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.41
APP P05067 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL21805979 0.84 ATM (0.44) ALDH1A1KMT2ALMNASMN1; SMN2CYP2C19
SCHEMBL2254362 0.84 OPRM1 (0.56) KMT2ASMN1; SMN2MEN1OPRM1
SCHEMBL2252823 0.83 OPRM1 (0.56) SMN1; SMN2OPRM1
SCHEMBL20500624 0.81 PPARA (0.39) ALDH1A1LMNAPOLBCYP2C19OPRM1
SCHEMBL28318807 0.80 OPRM1 (0.57) LMNASMN1; SMN2NPSR1TDP1CHRM2
SCHEMBL22027277 0.80 DGAT1 (0.46) KMT2ALMNASMN1; SMN2HSD11B1CYP2C19
SCHEMBL2254427 0.76 LIPG (0.40) OPRM1
SCHEMBL22027167 0.76 PLK1 (0.45) ALDH1A1KMT2ALMNASMN1; SMN2POLB
SCHEMBL22026919 0.76 NAAA (0.46) ALDH1A1LMNASMN1; SMN2HSD11B1CYP2C19
SCHEMBL26791021 0.75 ALDH1A1 (0.46) ALDH1A1KMT2ALMNASMN1; SMN2NPSR1

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-20220002309-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2022-01-06 US disclosed
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2020-06-11 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-20220002309-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA ALDH1A1 58/4885KMT2A 3212/4885LMNA 1461/4885
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA ALDH1A1 58/4885KMT2A 3212/4885LMNA 1461/4885

“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.