SCHEMBL12267802

SCHEMBL12267802

CCOC(=O)c1c(C)c2c(c(C)c1-c1c(C)c3c(c(C)c1C(=O)OCC)CN(S(=O)(=O)c1ccc(C)cc1)C3)CN(S(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.48
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL12267818 0.72 MEN1 (0.41) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL12686069 0.72 KMT2A (0.55) KMT2AALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL3307375 0.71 KMT2A (0.48) KMT2AALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL22734862 0.69 PKM (0.59) KMT2AALDH1A1LMNATSHRMEN1
SCHEMBL17942309 0.68 LMNA (0.57) KMT2AALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL10900999 0.68 CYP2C9 (0.71) KMT2AALDH1A1CYP2C9MEN1HTT
SCHEMBL31728066 0.68 LMNA (0.64) KMT2AALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL28352130 0.67 CYP2C9 (0.80) KMT2AALDH1A1LMNAL3MBTL1CYP2C9
SCHEMBL28355402 0.67 CYP2C9 (0.80) KMT2AALDH1A1LMNAL3MBTL1CYP2C9
SCHEMBL12330052 0.67 PKM (0.66) KMT2AALDH1A1LMNATSHRMEN1

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-8013171-B2 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2011-09-06 US disclosed
US-20090299076-A1 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2009-12-03 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-20090299076-A1 Axially asymmetric ester compound and production method thereof SQLE, COASY, TBC1D5 KMT2A 3160/4885ALDH1A1 3208/4885LMNA 4226/4885

“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.