SCHEMBL7196658

SCHEMBL7196658

CCCCOc1cc(CCC(=O)c2cccc(OCCCC)c2OCCCC)c(OCCCC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
ALOX5 P09917 3/20 0.44
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SCN9A Q15858 1/20 0.40
LTB4R Q15722 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PTGES O14684 1/20 0.39
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL7198353 0.97 THRA (0.47) THRATHRBNPC1PKMRAB9A
SCHEMBL7194122 0.96 THRA (0.49) THRATHRBNPC1PKMRAB9A
SCHEMBL7191795 0.95 NPC1 (0.43) THRATHRBNPC1PKMRAB9A
SCHEMBL7192750 0.93 NPC1 (0.51) THRATHRBNPC1PKMRAB9A
SCHEMBL7194517 0.89 THRA (0.51) THRATHRBNPC1PKMRAB9A
SCHEMBL7198457 0.89 ALOX5 (0.47) THRATHRBNPC1PKMRAB9A
SCHEMBL7193858 0.88 THRA (0.53) THRATHRBNPC1PKMRAB9A
SCHEMBL7198131 0.87 NPC1 (0.49) THRATHRBNPC1PKMRAB9A
SCHEMBL7189191 0.87 PPARG (0.47) THRATHRBALOX5MAPTL3MBTL1
SCHEMBL7187219 0.86 ALOX5 (0.49) THRATHRBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US claimed

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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 THRA 2660/4885THRB 2309/4885NPC1 3105/4885

“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.