SCHEMBL9946027

SCHEMBL9946027

CCCOc1ccc(C(C)C)c(OCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
RXRA P19793 2/20 0.43
KDM4E B2RXH2 4/20 0.43
CARM1 Q86X55 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL13848363 0.93 CYP3A4 (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL13320399 0.90 MEN1 (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL28583571 0.90 MEN1 (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL13889398 0.90 MEN1 (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL20314859 0.85 KDM4E (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9946005 0.83 KDM4E (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL13784757 0.83 KMT2A (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL25600572 0.82 ALDH1A1 (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL15086403 0.82 ALDH1A1 (0.62) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9945997 0.82 KDM4E (0.61) KMT2AMEN1L3MBTL1SMN1; SMN2KDM4E

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 KMT2A 4328/4885MEN1 4590/4885CYP1A2 2891/4885

“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.