SCHEMBL2601632

SCHEMBL2601632

CC1(c2ccc(F)cc2F)OCCO1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
GPR35 Q9HC97 1/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TDP2 O95551 1/20 0.36
CNR1 P21554 2/20 0.36

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
SCHEMBL5880790 0.81 KDM1A (0.35) BACE1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL5489557 0.79 KMT2A (0.41) BACE1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1445429 0.78 BACE1 (0.43) BACE1HCAR3HCAR2GPR35ALDH1A1
SCHEMBL5635402 0.78 KMT2A (0.41) KMT2ASMN1; SMN2MEN1LMNAPABPC1
SCHEMBL4482310 0.76 HCAR2 (0.38) BACE1HCAR2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5637464 0.75 KMT2A (0.40) KMT2ASMN1; SMN2MEN1LMNAPABPC1
SCHEMBL23727532 0.75 L3MBTL1 (0.36) KMT2ASMN1; SMN2MEN1LMNAPABPC1
SCHEMBL257533 0.74 BACE1 (0.49) BACE1HCAR3HCAR2GPR35ALDH1A1
SCHEMBL6967453 0.73 KMT2A (0.37) BACE1HCAR3HCAR2GPR35KMT2A
SCHEMBL12134101 0.73 KMT2A (0.37) BACE1HCAR3HCAR2GPR35KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158798-B2 Coupling process for preparing quinolone intermediates TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-04-17 US disclosed
US-8158798-B2 Coupling process for preparing quinolone intermediates TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-04-17 US disclosed
US-8039485-B2 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid WARNER CHILCOTT COMPANY, LLC (US) 2011-10-18 US disclosed
US-8039485-B2 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid WARNER CHILCOTT COMPANY, LLC (US) 2011-10-18 US disclosed
US-7528264-B2 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2009-05-05 US disclosed
US-7528264-B2 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2009-05-05 US disclosed
US-20090111991-A1 Coupling Process For Preparing Quinolone Intermediates ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2009-04-30 US disclosed
US-20090111991-A1 Coupling Process For Preparing Quinolone Intermediates ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2009-04-30 US disclosed
US-7456279-B2 Coupling process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2008-11-25 US disclosed
US-7456279-B2 Coupling process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2008-11-25 US disclosed
US-20070232650-A1 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid THE PROCTER & GAMBLE COMPANY 2007-10-04 US disclosed
US-20070232650-A1 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid THE PROCTER & GAMBLE COMPANY 2007-10-04 US disclosed
US-20070232806-A1 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 US disclosed
US-20070232804-A1 Coupling process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 US disclosed
US-20070232804-A1 Coupling process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 US disclosed
US-20070232806-A1 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 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 (4 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-20070232804-A1 Coupling process for preparing quinolone intermediates CYP3A4, CYP4B1, CYP4X1 BACE1 3209/4885HCAR3 496/4885HCAR2 930/4885
US-20090111991-A1 Coupling Process For Preparing Quinolone Intermediates CYP3A4, CYP4B1, CYP4X1 BACE1 3209/4885HCAR3 496/4885HCAR2 930/4885
US-20070232650-A1 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid SLC25A11, MDH2, MDH1 BACE1 4519/4885HCAR3 469/4885HCAR2 732/4885
US-20070232806-A1 Hydride reduction process for preparing quinolone intermediates NQO1, NQO2, POR BACE1 3085/4885HCAR3 744/4885HCAR2 878/4885

“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.