SCHEMBL14827641

SCHEMBL14827641

CC(C)C(C(=O)C(C)(C)C)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.41
MAPK1 P28482 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
SCHEMBL14664114 0.85 MEN1 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14828741 0.83 MEN1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12948551 0.77 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL14663979 0.76 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14828726 0.74 MEN1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6158083 0.74 KMT2A (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8136050 0.73 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL20759128 0.73 MEN1 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11798566 0.73 MEN1 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19678572 0.73 MEN1 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E

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-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 MEN1 4812/4885KMT2A 3866/4885SMN1; SMN2 4709/4885

“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.