SCHEMBL23917418

SCHEMBL23917418

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
AADAT Q8N5Z0 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
CREBBP Q92793 1/20 0.37
POLB P06746 1/20 0.37
HHAT Q5VTY9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KRAS P01116 1/20 0.36
GSK3B P49841 2/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
HTT P42858 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35

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
SCHEMBL23917198 0.82 NOTUM (0.48) NOTUMMEN1KMT2AALDH1A1TSHR
SCHEMBL23917172 0.80 KDM4E (0.59) NOTUMAADATKDM4EMEN1KMT2A
SCHEMBL21172818 0.71 AADAT (0.43) NOTUMAADATKDM4EALDH1A1HTT
SCHEMBL20204802 0.69 NOTUM (0.51) NOTUMKMT2AALDH1A1
SCHEMBL26079156 0.68 NOTUM (0.64) NOTUMKDM4EMEN1KMT2A
SCHEMBL24347198 0.68 HPGD (0.55) NOTUMKDM4EALDH1A1
SCHEMBL21172928 0.68 HPGD (0.55) NOTUMKDM4EALDH1A1
SCHEMBL21172572 0.68 NOTUM (0.60) NOTUMMEN1KMT2AALDH1A1TSHR
SCHEMBL21172600 0.68 NOTUM (0.60) NOTUMMEN1KMT2AALDH1A1TSHR
SCHEMBL21172863 0.68 HSD17B3 (0.50) NOTUMKDM4EMEN1KMT2AALDH1A1

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 NOTUM 2740/4885AADAT 4498/4885KDM4E 1755/4885

“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.