SCHEMBL2533727

SCHEMBL2533727

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AR P10275 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
POLB P06746 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL2532748 0.89 AR (0.43) MAPTSMN1; SMN2ARRXRARXRB
SCHEMBL2534360 0.89 RXRA (0.49) TP53SMN1; SMN2RXRARXRBFFAR4
SCHEMBL2535838 0.88 CYP1A2 (0.39) AR
SCHEMBL2531219 0.88 EPHX2 (0.42) MAPTAR
SCHEMBL14331198 0.88 PARP10 (0.41) TP53RXRARXRBFFAR4
SCHEMBL2532046 0.86 AR (0.40) TP53MAPTARPOLB
SCHEMBL15509975 0.84 RXRA (0.40) TP53MAPTRXRARXRBFFAR4
SCHEMBL2532866 0.84 SIRT2 (0.41) AR
SCHEMBL2532799 0.83 RXRA (0.37) TP53RXRARXRBFFAR4
SCHEMBL2532907 0.82 AR (0.44) TP53MAPTSMN1; SMN2ARPOLB

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 TP53 3756/4885MAPT 3094/4885SMN1; SMN2 1856/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 TP53 3756/4885MAPT 3094/4885SMN1; SMN2 1856/4885

“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.