Sugi Predict

Sugi Predict / Compounds / SCHEMBL2532046

SCHEMBL2532046

SCHEMBL2532046

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(-c3ccc(C(C)(C)C)cc3)c1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NOTCH1 P46531 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MASP2 O00187 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ HSPA1A P0DMV8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HSPA8 P11142 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NR4A1 P22736 1/20 0.35

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
SCHEMBL2532866 0.91 SIRT2 (0.41) ARCYP1A2RAB9ALMNA
SCHEMBL2532748 0.90 AR (0.43) ARALDH1A1CYP1A2RAB9AMEN1
SCHEMBL2531219 0.89 EPHX2 (0.42) ARCYP1A2RAB9AMAPT
SCHEMBL2534217 0.88 LMNA (0.38) ARTP53ALDH1A1RAB9ANOTCH1
SCHEMBL2535838 0.88 CYP1A2 (0.39) ARCYP1A2RAB9A
SCHEMBL2538230 0.88 AR (0.35) ARTP53ALDH1A1MEN1POLB
SCHEMBL2529377 0.87 RXRA (0.46) NR4A1LMNA
SCHEMBL2533727 0.86 TP53 (0.39) ARTP53POLBMAPT
SCHEMBL2532907 0.83 AR (0.44) ARTP53ALDH1A1CYP1A2RAB9A
SCHEMBL2531858 0.83 AR (0.52) ARALDH1A1RAB9AMEN1POLB

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 AR 1900/4885TP53 3756/4885ALDH1A1 552/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 AR 1900/4885TP53 3756/4885ALDH1A1 552/4885

“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.