SCHEMBL7198320

SCHEMBL7198320

COc1cc(OC(C)(C)C)cc(CCC(=O)c2cccc(OC(C)(C)C)c2)c1OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD4 P21917 2/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL7195697 0.83 NPC1 (0.44) CTNNB1WNT3AALDH1A1HTTKMT2A
SCHEMBL7192539 0.83 CTNNB1 (0.52) CTNNB1WNT3ATDP1ALDH1A1MAPT
SCHEMBL7193209 0.82 CTNNB1 (0.43) CTNNB1WNT3ATDP1ALDH1A1MAPT
SCHEMBL7188224 0.82 NPC1 (0.50) CTNNB1WNT3AALDH1A1HTTL3MBTL1
SCHEMBL7189344 0.81 HSD17B10 (0.39) NPC1PKMRAB9A
SCHEMBL7198485 0.80 CYP1A2 (0.39) LMNANPC1PKMRAB9A
SCHEMBL7193913 0.80 NPC1 (0.42) LMNAKMT2ANPC1PKMRAB9A
SCHEMBL21643278 0.79 ALDH1A1 (0.41) CTNNB1WNT3ATDP1ALDH1A1MAPT
SCHEMBL7194030 0.78 CTNNB1 (0.45) CTNNB1WNT3ATDP1ALDH1A1MAPT
SCHEMBL7198630 0.78 CTNNB1 (0.45) CTNNB1WNT3ATDP1ALDH1A1MAPT

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 CTNNB1 1942/4885WNT3A 3338/4885TDP1 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.