SCHEMBL23917172

SCHEMBL23917172

COC(=O)N1CC(C)Cc2cc(C)ccc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
NOTUM Q6P988 1/20 0.44
AADAT Q8N5Z0 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CREBBP Q92793 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL26517033 0.81 NOTUM (0.49) KDM4ENOTUMMEN1KMT2AALDH1A1
SCHEMBL23917418 0.80 NOTUM (0.43) KDM4ENOTUMAADATMEN1KMT2A
SCHEMBL13345024 0.77 KDM4E (0.83) KDM4ENOTUMMEN1KMT2AALDH1A1
SCHEMBL21172818 0.72 AADAT (0.43) KDM4ENOTUMAADATALDH1A1MAPT
SCHEMBL21172770 0.72 NOTUM (0.62) NOTUMALDH1A1LMNAPOLB
SCHEMBL26079156 0.69 NOTUM (0.64) KDM4ENOTUMMEN1KMT2AMAPT
SCHEMBL21172928 0.69 HPGD (0.55) KDM4ENOTUMALDH1A1MAPTTP53
SCHEMBL21172863 0.69 HSD17B3 (0.50) KDM4ENOTUMMEN1KMT2AALDH1A1
SCHEMBL24347198 0.69 HPGD (0.55) KDM4ENOTUMALDH1A1MAPTTP53
SCHEMBL21172600 0.69 NOTUM (0.60) NOTUMMEN1KMT2AALDH1A1TSHR

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB KDM4E 1755/4885NOTUM 2740/4885AADAT 4498/4885

“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.