SCHEMBL2531318

SCHEMBL2531318

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(N3CCCC3=O)c1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
HTR7 P34969 2/20 0.35
ELOVL6 Q9H5J4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL2533842 0.89 ALDH1A1 (0.41) PKMTSHRHPGDLMNANPC1
SCHEMBL2531386 0.88 SIRT2 (0.40) HSD17B10HPGDMAPTALDH1A1MAPK1
SCHEMBL2535709 0.85 AR (0.41) HSD17B10HPGDLMNARAB9AMAPT
SCHEMBL2535035 0.84 BCL9 (0.37) HSD17B10HPGDLMNAMAPTALDH1A1
SCHEMBL2530834 0.83 NPC1 (0.36) PKMTSHRHPGDLMNANPC1
SCHEMBL2532955 0.83 ALDH1A1 (0.40) HSD17B10HPGDNPC1RAB9AMAPT
SCHEMBL15509696 0.83 CYP2C19 (0.35) HSD17B10PKMTSHRHPGDLMNA
SCHEMBL2530573 0.82 GAA (0.36) HSD17B10TSHRHPGDLMNAMAPT
SCHEMBL2538194 0.81 AR (0.38) HSD17B10HPGDMAPTALDH1A1MAPK1
SCHEMBL2530590 0.80 HSD17B10 (0.38) HSD17B10HPGDLMNANPC1RAB9A

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 HSD17B10 1984/4885PKM 2599/4885TSHR 1338/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 HSD17B10 1984/4885PKM 2599/4885TSHR 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.