SCHEMBL7198630

SCHEMBL7198630

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.45
WNT3A P56704 3/20 0.45
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL7190577 0.86 TAS1R3 (0.43) CTNNB1WNT3AHTR1AADRA2ADRD1
SCHEMBL7197432 0.84 NPC1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7192539 0.84 CTNNB1 (0.52) CTNNB1WNT3AALDH1A1MAPTTDP1
SCHEMBL7194920 0.84 ALOX5 (0.42) CTNNB1WNT3AHTR1AADRA2ADRD1
SCHEMBL7192510 0.83 TAS1R3 (0.42) CTNNB1WNT3AHTR1AADRA2ADRD1
SCHEMBL7197638 0.83 NPC1 (0.50) CTNNB1WNT3ATUBB4ATUBBTUBA3C
SCHEMBL7190696 0.82 FOS (0.46) CTNNB1WNT3AHTR1AADRA2ADRD1
SCHEMBL7191895 0.81 NPC1 (0.38) GAANPC1PKMRAB9A
SCHEMBL7196714 0.81 NPC1 (0.42) ALDH1A1KMT2AGAAMEN1NPC1
SCHEMBL7194822 0.81 CYP1A2 (0.39) HTR1AADRA2AKCNH2TUBB4ATUBB

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 3338/4885HTR1A 1096/4885

“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.