SCHEMBL2533418

SCHEMBL2533418

COC(=O)c1ccc2c(c1)C(O)C(C)(C)C(c1cccc(OC)c1)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ GAA P10253 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ NPC1 O15118 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CDYL2 Q8N8U2 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
SCHEMBL2533964 0.87 AR (0.35) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2534316 0.82 RAB9A (0.46) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL2536265 0.79 MEN1 (0.46) ALDH1A1HPGDMEN1KMT2AMAPK1
SCHEMBL2535027 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL2531835 0.76 AR (0.46) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL2530595 0.76 LMNA (0.46) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL2529481 0.76 AR (0.54) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2
SCHEMBL2568619 0.76 MEN1 (0.40) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL2530827 0.75 HPGD (0.48) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL2536016 0.75 MEN1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 — — EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 — — US disclosed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 — — EP disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 — — US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 — — US disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 — — WO disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 — — 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 (2 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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 ALDH1A1 552/4885KDM4E 796/4885GAA 3991/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 ALDH1A1 552/4885KDM4E 796/4885GAA 3991/4885

“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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