SCHEMBL6306347

SCHEMBL6306347

COc1cccc(CC(=O)O)c1CCc1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LPAR1 Q92633 1/20 0.40
TP53 P04637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
HSP90AA1 P07900 1/20 0.38
LTB4R Q15722 1/20 0.37
LMNA P02545 1/20 0.37
PPARA Q07869 1/20 0.37
KLKB1 P03952 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
SCHEMBL6307567 0.89 TDP1 (0.48) TDP1MEN1KMT2ALPAR1HSP90AA1
SCHEMBL6299691 0.84 TDP1 (0.47) TDP1MEN1KMT2ATP53TAAR1
SCHEMBL6307044 0.83 TDP1 (0.46) TDP1MEN1KMT2ATP53TAAR1
SCHEMBL6300106 0.82 TDP1 (0.44) TDP1MEN1KMT2ATAAR1ALDH1A1
SCHEMBL6300307 0.81 TDP1 (0.43) TDP1MEN1KMT2ATAAR1ALDH1A1
SCHEMBL6299970 0.80 TDP1 (0.41) TDP1MEN1KMT2ATAAR1ALDH1A1
SCHEMBL6301942 0.76 TDP1 (0.45) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL6301954 0.74 TDP1 (0.39) TDP1MEN1KMT2ALPAR1TP53
SCHEMBL8683168 0.71 CA12 (0.55) TDP1TP53HSD17B10ALDH1A1KDM4E
SCHEMBL6390934 0.70 HSD17B10 (0.44) TDP1MEN1KMT2AHSD17B10ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 TDP1 1709/4885MEN1 3391/4885KMT2A 3889/4885

“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.