SCHEMBL11023687

SCHEMBL11023687

CC(C)(C)c1ccc(-c2cccc(C3CC(C)(C)c4cc(C(=O)O)ccc4N3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 17/20 0.50
▸ F7 P08709 15/20 0.50
▸ F10 P00742 13/20 0.50
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ DHODH Q02127 1/20 0.43
▸ RARA P10276 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ RARG P13631 1/20 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
SCHEMBL11025278 0.91 F11 (0.51) F11F7F10DHODH
SCHEMBL11025597 0.87 F11 (0.42) F11F7F10
SCHEMBL11025182 0.87 F11 (0.40) F11F7F10RXRARXRB
SCHEMBL11024124 0.86 F11 (0.43) F11F7F10
SCHEMBL11940894 0.84 F11 (0.42) F11F7F10
SCHEMBL11026646 0.84 RXRA (0.49) F11F7F10RXRARXRB
SCHEMBL11026001 0.82 F11 (0.47) F11F7F10
SCHEMBL11025007 0.79 F11 (0.54) F11F7F10
SCHEMBL11024140 0.79 F11 (0.47) F11F7F10
SCHEMBL2529377 0.78 RXRA (0.46) F11F7F10RXRARXRB

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-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US 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.

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