SCHEMBL9946033

SCHEMBL9946033

CC(C)c1c(F)ccc(OCc2ccccc2F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 3/20 0.46
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
IDO1 P14902 2/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9946030 0.87 MAPT (0.43) MEN1KMT2APKMSMN1; SMN2MAPT
SCHEMBL12360648 0.77 L3MBTL1 (0.40) KMT2ASMN1; SMN2HTTTDP1ALDH1A1
SCHEMBL19736992 0.75 MAPT (0.56) MCL1MEN1KMT2APKMKDM4E
SCHEMBL9945978 0.73 CYP1A2 (0.39) SMN1; SMN2TDP1GAATHRBL3MBTL1
SCHEMBL2558246 0.73 ALDH1A1 (0.47) MCL1MEN1KMT2APKMKDM4E
SCHEMBL13711373 0.71 TUBB1 (0.38) KDM4ELMNAHTTRAB9AMAPK1
SCHEMBL483546 0.70 MCL1 (0.61) MCL1MEN1KMT2APKMKDM4E
SCHEMBL12301126 0.70 MCL1 (0.61) MCL1MEN1KMT2APKMKDM4E
SCHEMBL3457659 0.70 MCL1 (0.61) MCL1MEN1KMT2APKMKDM4E
SCHEMBL15132934 0.70 MAOB (0.59) PKMSMN1; SMN2TDP1IDO1FNTA

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MCL1 2648/4885MEN1 4590/4885KMT2A 4328/4885

“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.