SCHEMBL6670653

SCHEMBL6670653

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
SRD5A2 P31213 1/20 0.43
NR1H4 Q96RI1 3/20 0.42
EPHX2 P34913 1/20 0.41
SLC1A2 P43004 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
ESRRG P62508 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TYR P14679 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
SCHEMBL6670650 1.00 HDAC1 (0.44) HDAC1SRD5A2NR1H4EPHX2SLC1A2
SCHEMBL6674790 0.87 MAPT (0.42) HDAC1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20732297 0.87 ESR1 (0.42) ESRRGLMNAALDH1A1TYRKIF11
SCHEMBL6674793 0.87 MAPT (0.42) HDAC1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5981504 0.87 HDAC3 (0.44) HDAC1MAPTALDH1A1KIF11KMT2A
SCHEMBL88835 0.87 HDAC3 (0.44) HDAC1MAPTALDH1A1KIF11KMT2A
SCHEMBL6801098 0.86 MME (0.40) HDAC1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL6801102 0.86 MME (0.40) HDAC1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL6674976 0.86 POLB (0.45) RAB9ANPC1PDK1PDK2PDK3
SCHEMBL6674974 0.86 POLB (0.45) RAB9ANPC1PDK1PDK2PDK3

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 HDAC1 265/4885SRD5A2 538/4885NR1H4 537/4885

“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.