SCHEMBL2124437

SCHEMBL2124437

COc1c(C)c(C)nc2ccc(C)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ LMNA P02545 2/20 0.43
▸ RAD52 P43351 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ AKT1 P31749 1/20 0.40

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
SCHEMBL23999688 0.78 POLB (0.68) KDM4ELMNARAD52ALDH1A1MEN1
SCHEMBL13349883 0.78 ALDH1A1 (0.43) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL3103639 0.77 L3MBTL1 (0.50) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL9724245 0.74 LMNA (0.55) KDM4ELMNARAD52ALDH1A1MEN1
SCHEMBL13107066 0.74 KDM4E (0.49) KDM4ELMNARAD52ALDH1A1MEN1
Hydrochloric Acid SCHEMBL27551107 0.73 LMNA (0.53) KDM4ELMNARAD52ALDH1A1MEN1
SCHEMBL21939660 0.71 CYP1A2 (0.46) KDM4ELMNARAD52ALDH1A1MEN1
SCHEMBL27949867 0.71 KDM4E (0.55) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL30659922 0.71 KDM4E (0.53) KDM4ELMNARAD52ALDH1A1MEN1
SCHEMBL29071047 0.71 KDM4E (0.53) KDM4ELMNARAD52ALDH1A1MEN1

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-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 — — US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 — — 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 KDM4E 1436/4885LMNA 2505/4885RAD52 4389/4885

“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.

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