SCHEMBL6670352

SCHEMBL6670352

Cc1ccc(/C=C(/O)C(=O)O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.39
TUBB1 Q9H4B7 3/20 0.39
MCL1 Q07820 1/20 0.37

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
SCHEMBL6670357 1.00 CES2 (0.40) CES2CES1SMN1; SMN2LMNAMAPT
SCHEMBL6670348 1.00 CES2 (0.40) CES2CES1SMN1; SMN2LMNAMAPT
SCHEMBL23310856 0.85 EGFR (0.44) LMNAMAPTALDH1A1MEN1NFKB1
SCHEMBL14114902 0.78 CYP1A2 (0.51) CES2CES1SMN1; SMN2LMNAMAPT
SCHEMBL6673167 0.77 AKR1C3 (0.49) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL6673168 0.77 AKR1C3 (0.49) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL6673162 0.77 AKR1C3 (0.49) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL15082801 0.77 EGFR (0.64) ALDH1A1KDM4ECYP3A4EGFR
SCHEMBL28216001 0.77 TP53 (0.40) CES2CES1SMN1; SMN2LMNAMAPT
SCHEMBL22543058 0.73 EGFR (0.61) SMN1; SMN2LMNAMAPTALDH1A1MEN1

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 1678/4885SMN1; SMN2 1481/4885

“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.