SCHEMBL7198570

SCHEMBL7198570

CCc1ccc(OC)c(CCC(=O)c2c(OC)c(OC)cc(OC)c2OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
PTGS2 P35354 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
TUBB1 Q9H4B7 3/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 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
SCHEMBL7191882 0.92 CYP19A1 (0.46) CYP19A1PTGS2NFKB1NFKB2RELA
SCHEMBL7197673 0.85 CYP19A1 (0.47) CYP19A1NFKB1NFKB2RELAKMT2A
SCHEMBL7197963 0.85 HSD17B10 (0.54)
SCHEMBL7190512 0.84 NPC1 (0.44) PTGS2NFKB1NFKB2RELAKMT2A
SCHEMBL7193474 0.81 ALDH1A1 (0.45) KMT2AMEN1
SCHEMBL7196554 0.81 SLC5A1 (0.42) CYP19A1KMT2ASLC5A1SLC5A2AKT1
SCHEMBL7198516 0.80 POLB (0.46) NFKB1NFKB2RELAKMT2AMEN1
SCHEMBL7195064 0.79 MEN1 (0.52) KMT2AMEN1
SCHEMBL7193844 0.79 NPC1 (0.51) KMT2AMEN1
SCHEMBL7193964 0.79 SLC5A1 (0.44) CYP19A1SLC5A1SLC5A2AKT1

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 CYP19A1 375/4885PTGS2 1005/4885NFKB1 220/4885

“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.