SCHEMBL11028083

SCHEMBL11028083

CC1(C)CC(c2cccc(C(=O)Nc3ccccc3)c2)Nc2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 14/20 0.47
▸ F7 P08709 12/20 0.47
▸ F10 P00742 11/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP26A1 O43174 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ RARA P10276 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ RARB P10826 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ RARG P13631 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ HPSE Q9Y251 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
SCHEMBL11023480 0.90 F11 (0.45) F11F7F10KMT2ACYP26A1
SCHEMBL11025078 0.88 SMN1; SMN2 (0.48) F11F7F10ALDH1A1MAPK1
SCHEMBL11026541 0.87 KDM1A (0.41) F11F7F10KMT2ACYP26A1
SCHEMBL11025007 0.84 F11 (0.54) F11F7F10
SCHEMBL11024600 0.80 F11 (0.45) F11F7F10KMT2AMEN1
SCHEMBL11024140 0.79 F11 (0.47) F11F7F10
SCHEMBL2531699 0.79 KDM1A (0.47) KMT2ACYP26A1CYP3A4RARAMEN1
SCHEMBL11028722 0.78 F11 (0.53) F11F7F10RARARARB
SCHEMBL11028551 0.78 F11 (0.47) F11F7F10
SCHEMBL11026001 0.78 F11 (0.47) F11F7F10

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.

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