SCHEMBL6307044

SCHEMBL6307044

COc1cccc(CCO)c1CCc1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 5/20 0.35
HSP90AA1 P07900 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
TP53 P04637 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL6299691 0.90 TDP1 (0.47) TDP1ALDH1A1TAAR1MEN1KMT2A
SCHEMBL6300307 0.86 TDP1 (0.43) TDP1ALDH1A1TAAR1MEN1KMT2A
SCHEMBL6300106 0.85 TDP1 (0.44) TDP1ALDH1A1TAAR1MEN1KMT2A
SCHEMBL6307567 0.85 TDP1 (0.48) TDP1MEN1KMT2AHSP90AA1
SCHEMBL6299970 0.83 TDP1 (0.41) TDP1ALDH1A1TAAR1MEN1KMT2A
SCHEMBL6306347 0.83 TDP1 (0.52) TDP1ALDH1A1TAAR1MEN1KMT2A
SCHEMBL506887 0.81 ALOX5 (0.45) ALDH1A1TAAR1ALOX5PTGS2TP53
SCHEMBL6301942 0.74 TDP1 (0.45) TDP1ALDH1A1MEN1KMT2ATP53
SCHEMBL11518676 0.70 TDP1 (0.58) TDP1ALDH1A1TAAR1ABCB1
SCHEMBL5782701 0.70 TP53 (0.46) ALDH1A1TAAR1ALOX5PTGS2TP53

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 1709/4885ALDH1A1 578/4885TAAR1 1568/4885

“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.