SCHEMBL2532923

SCHEMBL2532923

CCOC(=O)c1ccc2c(c1)C(O)C(C)(C)C(c1cccnc1)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
POLB P06746 4/20 0.44
TSHR P16473 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 4/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2529481 0.88 AR (0.54) ARPOLBALDH1A1KDM4EMAPT
SCHEMBL2534906 0.85 SMN1; SMN2 (0.42) ARPOLBTSHRNPSR1ALDH1A1
SCHEMBL2533326 0.84 AR (0.46) ARPOLBTSHRNPSR1ALDH1A1
SCHEMBL2531835 0.83 AR (0.46) ARPOLBTSHRALDH1A1KDM4E
SCHEMBL2535642 0.82 AR (0.43) ARPOLBALDH1A1KDM4EMAPT
SCHEMBL2527647 0.82 AR (0.43) ARPOLBALDH1A1KDM4EMAPT
SCHEMBL2529404 0.81 CACNA1C (0.54) POLBTSHRALDH1A1MAPTMAPK1
SCHEMBL2532446 0.80 TSHR (0.47) ARPOLBTSHRNPSR1ALDH1A1
SCHEMBL2532998 0.79 AR (0.41) ARPOLBALDH1A1KDM4EMAPT
SCHEMBL2532543 0.79 AR (0.45) ARPOLBTSHRALDH1A1KDM4E

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 1900/4885POLB 4481/4885TSHR 1338/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 AR 1900/4885POLB 4481/4885TSHR 1338/4885

“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.