SCHEMBL2532907

SCHEMBL2532907

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
HIF1A Q16665 3/20 0.40
POLB P06746 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL2531858 0.89 AR (0.52) ARMEN1KMT2AMAPTPOLB
SCHEMBL2536543 0.89 AR (0.42) ARMEN1KMT2AMAPTPOLB
SCHEMBL2535682 0.89 AR (0.43) ARMEN1KMT2AMAPTPOLB
SCHEMBL2535778 0.89 MAPT (0.44) ARMEN1KMT2AMAPTPOLB
SCHEMBL2533556 0.89 ALDH1A1 (0.41) ARMEN1KMT2AMAPTLMNA
SCHEMBL2532336 0.88 RAB9A (0.46) KMT2AMAPTLMNATSHRALDH1A1
SCHEMBL2532760 0.88 RAB9A (0.49) ARMEN1KMT2AMAPTPOLB
SCHEMBL2530168 0.88 ALDH1A1 (0.43) ARMEN1KMT2AMAPTLMNA
SCHEMBL2538431 0.87 AR (0.42) ARMEN1KMT2AMAPTPOLB
SCHEMBL2534825 0.87 RAB9A (0.49) 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.