SCHEMBL13380255

SCHEMBL13380255

COC(=O)[C@H](O)[C@@H](NC(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 5/20 0.42
MEN1 O00255 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP8 P22894 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL31477299 0.88 KMT2A (0.53) KMT2ACYP3A4CYP2C19TSHRLMNA
SCHEMBL12069805 0.86 KMT2A (0.47) KMT2ACYP3A4CYP2C19TSHRLMNA
SCHEMBL15317931 0.86 KMT2A (0.47) KMT2ACYP3A4CYP2C19TSHRLMNA
SCHEMBL12069021 0.86 KMT2A (0.47) KMT2ACYP3A4CYP2C19TSHRLMNA
SCHEMBL15639608 0.85 CTSK (0.43) KMT2AKEAP1NFE2L2LMNAMEN1
SCHEMBL330450 0.85 LMNA (0.59) KMT2ACYP3A4CYP2C19TSHRLMNA
SCHEMBL1071825 0.85 LMNA (0.59) KMT2ACYP3A4CYP2C19TSHRLMNA
SCHEMBL6356699 0.85 LMNA (0.59) KMT2ACYP3A4CYP2C19TSHRLMNA
SCHEMBL28736218 0.85 LMNA (0.59) KMT2ACYP3A4CYP2C19TSHRLMNA
SCHEMBL28772271 0.84 KMT2A (0.56) KMT2ACYP3A4CYP2C19TSHRLMNA

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-20100099896-A1 METHOD OF PREPARING DOCETAXEL AND INTERMEDIATES USED THEREIN HANMI PHARM. CO. LTD (KR) 2010-04-22 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-20100099896-A1 METHOD OF PREPARING DOCETAXEL AND INTERMEDIATES USED THEREIN MCL1, DPYD, THPO KMT2A 3620/4885CYP3A4 1663/4885CYP2C19 3277/4885

“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.