SCHEMBL7195034

SCHEMBL7195034

CCc1ccc(OC)c(CCC(=O)c2cccc(OC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CTNNB1 P35222 3/20 0.50
WNT3A P56704 3/20 0.50
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL7198516 0.88 POLB (0.46) KMT2AMEN1NPC1POLBACHE
SCHEMBL7188215 0.88 KMT2A (0.56) ALDH1A1MAPTTDP1CTNNB1WNT3A
SCHEMBL7193490 0.85 FOS (0.46) ALDH1A1MAPTTDP1KMT2AHPGD
SCHEMBL7196312 0.83 KMT2A (0.52) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL7198537 0.83 PPARG (0.45) ALDH1A1MAPTTDP1CTNNB1WNT3A
SCHEMBL7197673 0.83 CYP19A1 (0.47) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL29007489 0.83 GAA (0.64) ALDH1A1MAPTTDP1CTNNB1WNT3A
SCHEMBL7198598 0.82 THRB (0.53) KMT2A
SCHEMBL7195064 0.82 MEN1 (0.52) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL7193935 0.82 THRA (0.57) KMT2A

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 ALDH1A1 88/4885MAPT 3817/4885TDP1 2361/4885

“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.