SCHEMBL11024600

SCHEMBL11024600

CCOC(=O)c1ccc2c(c1)C(C)(C)CC(c1cccc(C(=O)O)c1)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.45
F7 P08709 10/20 0.45
F10 P00742 9/20 0.45
AR P10275 1/20 0.43
DHFR P00374 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MASP2 O00187 1/20 0.39
MEN1 O00255 1/20 0.39
GAPDH P04406 1/20 0.39
POLB P06746 1/20 0.39
HSPA1A P0DMV8 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HSPA8 P11142 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
NR4A1 P22736 1/20 0.39
DUSP1 P28562 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
SCHEMBL11024163 0.92 F10 (0.47) F11F7F10ARDHFR
SCHEMBL11023670 0.89 F10 (0.46) F11F7F10ARALDH1A1
SCHEMBL11027217 0.89 SMYD3 (0.41) F11F7F10ARKDM4E
SCHEMBL11025078 0.88 SMN1; SMN2 (0.48) F11F7F10ALDH1A1POLB
SCHEMBL11024121 0.88 TP53 (0.44) F11F7F10ARDHFR
SCHEMBL11027270 0.86 CACNA1F (0.46) F11F7F10ARALDH1A1
SCHEMBL11026020 0.85 AR (0.40) F11F7F10ARDHFR
SCHEMBL11023402 0.85 F11 (0.45) F11F7F10ARDHFR
SCHEMBL11025007 0.84 F11 (0.54) F11F7F10
SCHEMBL11025597 0.82 F11 (0.42) F11F7F10AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A F11 2989/4885F7 2297/4885F10 2432/4885

“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.