SCHEMBL7197673

SCHEMBL7197673

CCc1ccc(OC)c(CCC(=O)c2c(OC)cccc2OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PPARA Q07869 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41

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 0.88 CYP19A1 (0.46) CYP19A1KMT2ASMN1; SMN2LMNANFKB1
SCHEMBL7198570 0.85 CYP19A1 (0.46) CYP19A1KMT2ANFKB1NFKB2RELA
SCHEMBL7193844 0.85 NPC1 (0.51) KMT2AHTTMEN1NPC1RAB9A
SCHEMBL7198581 0.85 SLC5A1 (0.43) CYP19A1KMT2AMAPTSLC5A1SLC5A2
SCHEMBL7193474 0.85 ALDH1A1 (0.45) KMT2ASMN1; SMN2LMNAHTTMEN1
SCHEMBL7191811 0.83 PPARG (0.43) CYP19A1PPARA
SCHEMBL7195034 0.83 ALDH1A1 (0.52) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL7190531 0.83 SLC5A1 (0.45) KMT2ASMN1; SMN2LMNAHTTPPARA
SCHEMBL7198061 0.82 LTB4R (0.47) KMT2ASMN1; SMN2HTTMEN1NPC1
SCHEMBL7198102 0.81 FOS (0.48) HTTPPARANFKB1NFKB2RELA

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 375/4885TAS1R3 1683/4885TAS1R1 1236/4885

“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.