SCHEMBL6674976

SCHEMBL6674976

CN[C@H](C(=O)O)C(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MIF P14174 1/20 0.41
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
CYP1A2 P05177 2/20 0.39
GRIN2D O15399 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
SCHEMBL6674974 1.00 POLB (0.45) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL6670653 0.86 HDAC1 (0.44) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL6670650 0.86 HDAC1 (0.44) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL6674790 0.84 MAPT (0.42) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL20732297 0.84 ESR1 (0.42) ALDH1A1LMNAHSD17B10CYP3A4KIF11
SCHEMBL6674793 0.84 MAPT (0.42) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL5981504 0.84 HDAC3 (0.44) KMT2AMAPTALDH1A1CYP2C19CYP1A2
SCHEMBL88835 0.84 HDAC3 (0.44) KMT2AMAPTALDH1A1CYP2C19CYP1A2
SCHEMBL6801098 0.83 MME (0.40) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL6801102 0.83 MME (0.40) POLBMEN1KMT2AALDH1A1LMNA

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN POLB 1876/4885MEN1 40/4885KMT2A 1114/4885

“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.