SCHEMBL6178412

SCHEMBL6178412

CCC(C(=O)OC)c1ccccc1OC.c1ccc2c(c1)O2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
CTSD P07339 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL6177152 0.86 TSHR (0.44) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL28569136 0.82 L3MBTL1 (0.50) ALDH1A1L3MBTL1NPSR1MEN1KMT2A
SCHEMBL7979095 0.80 POLB (0.48) ALDH1A1L3MBTL1POLBNPSR1HTT
SCHEMBL30669705 0.80 POLB (0.48) ALDH1A1L3MBTL1POLBNPSR1HTT
SCHEMBL28140055 0.79 POLB (0.45) ALDH1A1L3MBTL1POLBNPSR1HTT
SCHEMBL28588425 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBNPSR1HTT
SCHEMBL23880085 0.77 CTSD (0.47) L3MBTL1POLBNPSR1HTTLMNA
SCHEMBL2830617 0.77 L3MBTL1 (0.38) ALDH1A1L3MBTL1POLBNPSR1HTT
SCHEMBL9430235 0.77 KDM4E (0.43) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL28915627 0.77 PPARG (0.52) ALDH1A1L3MBTL1POLBNPSR1HTT

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
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR ALDH1A1 2759/4885L3MBTL1 4658/4885POLB 4120/4885

“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.