SCHEMBL12418688

SCHEMBL12418688

CC(C)C(=O)c1ccc(-c2ccc(C(=O)C(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
DBH P09172 1/20 0.56
GAA P10253 1/20 0.56
RECQL P46063 1/20 0.56
PDPK1 O15530 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TSSK1B Q9BXA7 1/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MAPT P10636 2/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B10 Q99714 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 1/20 0.41
PTGS2 P35354 1/20 0.40
POLB P06746 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
SCHEMBL10121174 0.92 KDM4E (0.62) KDM4EDBHGAARECQLPDPK1
SCHEMBL2625198 0.91 SMN1; SMN2 (0.61) KDM4EGAASMN1; SMN2LMNAHTT
SCHEMBL13203107 0.91 HSD17B1 (0.59) KDM4EDBHGAARECQLPDPK1
SCHEMBL11307780 0.89 CES2 (0.48) KDM4EDBHGAARECQLPDPK1
SCHEMBL22548943 0.89 KDM4E (0.52) KDM4EDBHGAARECQLPDPK1
SCHEMBL2918747 0.89 CES2 (0.48) KDM4EDBHGAARECQLPDPK1
SCHEMBL25139482 0.87 HDAC1 (0.53) KDM4EDBHGAARECQLPDPK1
SCHEMBL678080 0.85 CES2 (0.55) ALDH1A1RXRA
SCHEMBL10941943 0.84 KDM4E (0.56) KDM4EDBHGAARECQLSMN1; SMN2
SCHEMBL24814137 0.84 HDAC3 (0.47) KDM4EDBHGAARECQLPDPK1

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-20200323814-A1 MEDICAL COMPOUND VERA SALUS RICERCA S.R.L. (IT) 2020-10-15 US disclosed
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-07-14 US disclosed
US-20100203012-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-08-12 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-20100203012-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 KDM4E 4223/4885DBH 4079/4885GAA 2614/4885
US-20200323814-A1 MEDICAL COMPOUND MTNR1B, CBR1, MTNR1A KDM4E 3339/4885DBH 442/4885GAA 3330/4885
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC7 KDM4E 3173/4885DBH 2518/4885GAA 3941/4885

“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.