SCHEMBL16016991

SCHEMBL16016991

CC(=O)O[C@@H]1Cc2c(OCc3ccccc3)cc(C)cc2O[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ STING1 Q86WV6 1/20 0.52
▸ GABRA1 P14867 4/20 0.50
▸ GABRB2 P47870 4/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCB1 P08183 10/20 0.41
▸ APP P05067 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL3923100 0.91 ALDH1A1 (0.62) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL17523266 0.88 STING1 (0.45) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL17358246 0.87 STING1 (0.42) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL16016989 0.87 PDE4A (0.42) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL17358236 0.87 STING1 (0.42) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL17358245 0.87 STING1 (0.42) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL15450265 0.86 STING1 (0.43) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL16017066 0.86 XDH (0.46) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL15450261 0.86 STING1 (0.43) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL15450257 0.84 CYP3A4 (0.44) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1

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-9187448-B2 Flavonoid compounds CARDERO THERAPEUTICS, INC. (US) 2015-11-17 — — US disclosed
US-20140256741-A1 FLAVONOID COMPOUNDS CARDERO THERAPEUTICS, INC. (US) 2014-09-11 — — 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-20140256741-A1 FLAVONOID COMPOUNDS FIS1, TFAM, MFN2 ALDH1A1 1984/4885CYP3A4 3740/4885MAPK1 943/4885

“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.

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