SCHEMBL27199178

SCHEMBL27199178

COc1cc(C23CC4CC(CC(C4)C2)C3)cc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
POLB P06746 1/20 0.53
GFER P55789 1/20 0.53
CNR2 P34972 8/20 0.45
FAAH O00519 1/20 0.43
GPR55 Q9Y2T6 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL11645079 0.93 KMT2A (0.47) KMT2AMEN1GAAPOLBGFER
SCHEMBL3976437 0.83 LMNA (0.42) KMT2AMEN1GAAPOLBGFER
SCHEMBL27199185 0.79 MEN1 (0.56) KMT2AMEN1GAAPOLBGFER
SCHEMBL549830 0.77 MEN1 (0.58) KMT2AMEN1GAAPOLBGFER
SCHEMBL4582054 0.77 ALDH1A1 (0.39) KMT2AMEN1GAAPOLBGFER
SCHEMBL27199177 0.75 POLB (0.51) KMT2AMEN1GAAPOLBGFER
SCHEMBL4823510 0.75 MEN1 (0.44) KMT2AMEN1GAAPOLBGFER
SCHEMBL548727 0.74 MEN1 (0.63) KMT2AMEN1GAAPOLBGFER
SCHEMBL2002660 0.73 KMT2A (0.53) KMT2AMEN1GAAPOLBGFER
SCHEMBL1913997 0.73 FAAH (0.55) KMT2AMEN1GAACNR2FAAH

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-20240124501-A1 VANADIUM COMPOUNDS AND METHODS OF MAKING AND USING THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2024-04-18 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-20240124501-A1 VANADIUM COMPOUNDS AND METHODS OF MAKING AND USING THEREOF ATP6V1B2, MVD, VDAC3 KMT2A 1389/4885MEN1 510/4885GAA 868/4885

“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.