SCHEMBL6671614

SCHEMBL6671614

COc1cccc(C(C)(C)C(=O)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 2/20 0.46
PARP1 P09874 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT1 P42224 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CTBP2 P56545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KIF11 P52732 1/20 0.42

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
SCHEMBL1356271 0.86 AKR1C3 (0.52) CES2CES1LMNAPARP1NPC1
SCHEMBL1546686 0.83 CES2 (0.50) CES2CES1LMNAPARP1NPC1
SCHEMBL18231508 0.81 MAPT (0.56) CES2CES1LMNAPARP1NPC1
SCHEMBL3507981 0.81 NPC1 (0.49) CES2CES1LMNAPARP1NPC1
SCHEMBL25460833 0.79 NPC1 (0.47) CES2CES1LMNAPARP1NPC1
SCHEMBL1368545 0.78 CES2 (0.49) CES2CES1LMNAPARP1NPC1
SCHEMBL6288739 0.78 CES2 (0.49) CES2CES1LMNAPARP1NPC1
SCHEMBL8178552 0.78 KDM4E (0.47) CES2CES1LMNAPARP1NPC1
SCHEMBL6670315 0.77 HSD17B1 (0.50) LMNAPARP1MAPTKMT2AALDH1A1
SCHEMBL6671750 0.77 KIF11 (0.43) LMNAPARP1SMN1; SMN2MAPTMEN1

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 CES2 1226/4885CES1 1678/4885LMNA 1049/4885

“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.