SCHEMBL14701476

SCHEMBL14701476

CCCCCCCC(=O)O[C@@H]1Cc2c(OCCCC)cc(OCCCC)cc2O[C@@H]1c1ccc(OCCCC)c(OCCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 14/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ XDH P47989 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ F10 P00742 3/20 0.42

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
SCHEMBL13508825 0.92 ALDH1A1 (0.52) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL14701450 0.89 ALDH1A1 (0.63) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL22141103 0.86 ALDH1A1 (0.59) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL5086331 0.85 ALDH1A1 (0.63) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL5086354 0.85 ALDH1A1 (0.63) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL16160532 0.84 ALDH1A1 (0.49) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL15918823 0.84 CYP3A4 (0.45) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL17359643 0.84 CYP3A4 (0.45) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL14701472 0.84 CYP3A4 (0.45) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL17359682 0.84 CYP3A4 (0.45) ABCB1ALDH1A1CYP3A4MAPK1SMN1; SMN2

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 3 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
WO-2013022846-A2 FLAVONOID COMPOUNDS CARDERO THERAPEUTICS, INC. (US) 2013-02-14 — — WO 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 ABCB1 3737/4885ALDH1A1 1984/4885CYP3A4 3740/4885

“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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