SCHEMBL2532998

SCHEMBL2532998

CCOC(=O)c1ccc2c(c1)C(O)C(C)(C)C(c1cc(C)cc(Br)c1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 6/20 0.41
POLB P06746 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HSPA1A P0DMV8 3/20 0.41
PTPN7 P35236 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAPDH P04406 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MASP2 O00187 1/20 0.41
THRB P10828 1/20 0.41
HSPA8 P11142 1/20 0.41
ALOX15 P16050 1/20 0.41
NR4A1 P22736 1/20 0.41
DUSP1 P28562 1/20 0.41
BRCA1 P38398 1/20 0.41

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
SCHEMBL2534312 0.90 AR (0.40) ARMEN1KMT2AMAPTPOLB
SCHEMBL2536313 0.90 AR (0.40) ARMEN1KMT2AMAPTPOLB
SCHEMBL2535272 0.89 MAPT (0.40) ARMEN1KMT2AMAPTPOLB
SCHEMBL2527647 0.89 AR (0.43) ARMEN1KMT2AMAPTPOLB
SCHEMBL2531835 0.88 AR (0.46) ARMEN1KMT2AMAPTPOLB
SCHEMBL2534906 0.86 SMN1; SMN2 (0.42) ARMEN1KMT2AMAPTPOLB
SCHEMBL2535642 0.85 AR (0.43) ARMEN1KMT2AMAPTPOLB
SCHEMBL2529481 0.84 AR (0.54) ARMEN1KMT2AMAPTPOLB
SCHEMBL2530153 0.82 ABCC9 (0.44) ARMEN1KMT2AMAPTPOLB
SCHEMBL2532543 0.82 AR (0.45) ARMEN1KMT2AMAPTPOLB

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 1900/4885MEN1 353/4885KMT2A 661/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 AR 1900/4885MEN1 353/4885KMT2A 661/4885

“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.