SCHEMBL41984

SCHEMBL41984

CC(C)Oc1ccc(F)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.43
ERN1 O75460 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALDH1A3 P47895 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL8322837 0.87 ALDH1A1 (0.56) ALDH1A1MAPTERN1CYP1A2CYP2C9
SCHEMBL23148078 0.86 ALDH1A1 (0.41) ALDH1A1MAPTERN1CYP1A2CYP2C9
SCHEMBL31006009 0.84 DRD1 (0.42) ALDH1A1MAPTERN1KMT2AL3MBTL1
SCHEMBL6930848 0.84 ALDH1A3 (0.53) ALDH1A1MAPTERN1CYP1A2CYP2C9
SCHEMBL16793397 0.84 DRD1 (0.42) ALDH1A1MAPTERN1KMT2AL3MBTL1
SCHEMBL339513 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL16951942 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL29125481 0.81 ERN1 (0.41) ALDH1A1MAPTERN1MEN1HPGD
SCHEMBL29432755 0.79 ERN1 (0.56) ALDH1A1MAPTERN1MEN1HPGD
SCHEMBL273404 0.79 ERN1 (0.56) ALDH1A1MAPTERN1MEN1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561776-A N- (3-fluorobenzyl) -1H-indazole-5-amine derivative and application thereof 沈阳药科大学 2024-08-30 CN disclosed
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-8592594-B2 Tetrahydro-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-26 US disclosed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP disclosed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ALDH1A1 455/4885MAPT 3216/4885ERN1 610/4885
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 ALDH1A1 361/4885MAPT 3006/4885ERN1 718/4885

“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.