SCHEMBL12379820

SCHEMBL12379820

COc1ccc(CCC(=O)c2ccc(C)cc2O)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.62
IDO1 P14902 1/20 0.56
TDO2 P48775 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
ALOX5 P09917 1/20 0.50
OR51E2 Q9H255 1/20 0.50
LMNA P02545 1/20 0.50
APEX1 P27695 1/20 0.50
GAA P10253 1/20 0.50
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49

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
SCHEMBL2292369 0.88 CYP19A1 (0.71) CYP19A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL30129997 0.88 CYP19A1 (0.71) CYP19A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL14071710 0.84 CYP19A1 (0.82) CYP19A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL10328456 0.84 CYP19A1 (0.65) CYP19A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL11860502 0.81 CYP19A1 (0.58) CYP19A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL11857614 0.81 CYP19A1 (0.58) CYP19A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL9730692 0.80 MEN1 (0.67) CYP19A1MEN1KMT2ACYP3A4ALOX5
SCHEMBL11854982 0.80 CYP19A1 (0.54) CYP19A1MEN1KMT2ACYP3A4NFKB1
SCHEMBL6339281 0.79 ALOX5 (0.77) CYP19A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL11855540 0.78 CYP19A1 (0.57) CYP19A1MEN1KMT2ACYP3A4CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8992892-B2 Use of 1-(2,4-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-one SYMRISE AG (DE) 2015-03-31 US disclosed
US-20110189108-A1 USE OF 1-(2,4-DIHYDROXY-PHENYL)-3-(3-HYDROXY-4-METHOXY-PHENYL)-PROPAN-1-ONE SYMRISE AG (DE) 2011-08-04 US disclosed

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-20110189108-A1 USE OF 1-(2,4-DIHYDROXY-PHENYL)-3-(3-HYDROXY-4-METHOXY-PHENYL)-PROPAN-1-ONE HES1, TAS2R20, TAS2R50 CYP19A1 4353/4885IDO1 2270/4885TDO2 4111/4885

“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.