SCHEMBL16220554

SCHEMBL16220554

CC(=O)COc1ccc(C)cc1C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HPGD P15428 2/20 0.57
LMNA P02545 5/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 2/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 2/20 0.51
HTT P42858 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
HSP90AA1 P07900 1/20 0.49
UBE2N P61088 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL7889971 0.85 HTT (0.66) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL2113005 0.85 PTGDR2 (0.64) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL3032640 0.85 HPGD (0.56) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL5742045 0.84 MEN1 (0.57) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL13659584 0.84 AR (0.46) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL23189063 0.82 KDM4E (0.53) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL8605798 0.82 CYP1A2 (0.64) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL12883303 0.82 MEN1 (0.56) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL8343863 0.82 AR (0.44) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL14569575 0.82 ALDH1A1 (0.61) MEN1KMT2ASMN1; SMN2HPGDLMNA

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
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 MEN1 3742/4885KMT2A 87/4885SMN1; SMN2 500/4885
US-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 MEN1 3735/4885KMT2A 3707/4885SMN1; SMN2 3367/4885

“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.