SCHEMBL80957

SCHEMBL80957

OCC=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.56
FBP1 P09467 1/20 0.53
P4HB P07237 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOB P27338 5/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL80956 1.00 NFE2L2 (0.56) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL9516761 0.86 NFE2L2 (0.53) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL28853269 0.84 PNMT (0.51) NFE2L2FBP1
SCHEMBL19399833 0.83 NFE2L2 (0.50) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL1506009 0.82 NFE2L2 (0.56) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL2095432 0.82 FBP1 (0.57) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL7286051 0.82 NFE2L2 (0.56) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL2095430 0.82 FBP1 (0.57) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL7286044 0.82 NFE2L2 (0.56) NFE2L2FBP1P4HBMEN1LMNA
SCHEMBL14416283 0.82 NFE2L2 (0.60) NFE2L2FBP1P4HBMEN1LMNA

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716776-A Method for synthesizing alcohol compound by catalyzing alpha, beta-unsaturated aldehyde 化学与精细化工广东省实验室 2023-02-28 CN claimed
CN-107311844-A The synthesis of m-trifluoromethyl phenylpropanol 六安佳诺生化科技有限公司 2017-11-03 CN claimed
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2012-12-06 US claimed
EP-2477959-A1 PROCESSES FOR THE PREPARATION OF CINACALCET Ranbaxy Laboratories Limited (IN) 2012-07-25 EP claimed
WO-2011033473-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2011-03-24 WO claimed
WO-2010128388-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF CINACALCET AUROBINDO PHARMA LIMITED (IN) 2010-11-11 WO claimed
CN-115716776-A Method for synthesizing alcohol compound by catalyzing alpha, beta-unsaturated aldehyde 化学与精细化工广东省实验室 2023-02-28 CN disclosed
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-20180155270-A1 PROCESS FOR PREPARATION OF CINACALCET INTERMEDIATE AND CINACALCET HYDROCHLORIDE LUPIN LIMITED (IN) 2018-06-07 US disclosed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 US disclosed
CN-107311844-A The synthesis of m-trifluoromethyl phenylpropanol 六安佳诺生化科技有限公司 2017-11-03 CN disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-20030144334-A1 Cyclopentabenzofuran derivatives and their use GUARNIERI WALTER (DE) 2003-07-31 US disclosed
US-6420393-B1 NUCLEAR FACTOR .KAPPA.B-DEPENDENT DISEASE SELECTED FROM THE GROUP CONSISTING OF INFLAMMATORY DISEASES, IMMUNOLOGICAL DISORDERS, SEPTIC SHOCK, TRANSPLANT REJECTION, RADIATION DAMAGE, REPERFUSION INJURIES AFTER ISCHEMIA, STROKE OR BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP 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 (8 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-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 NFE2L2 3306/4885FBP1 542/4885P4HB 981/4885
US-20030144334-A1 Cyclopentabenzofuran derivatives and their use NFKBIA, IKBKG, NFKB1 NFE2L2 17/4885FBP1 1544/4885P4HB 414/4885
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET CA4, SI, CA9 NFE2L2 4330/4885FBP1 1960/4885P4HB 2003/4885
US-20180155270-A1 PROCESS FOR PREPARATION OF CINACALCET INTERMEDIATE AND CINACALCET HYDROCHLORIDE SI, ACSL4, C9 NFE2L2 898/4885FBP1 2339/4885P4HB 2929/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 NFE2L2 3306/4885FBP1 542/4885P4HB 981/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 NFE2L2 3306/4885FBP1 542/4885P4HB 981/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 NFE2L2 4091/4885FBP1 383/4885P4HB 408/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 NFE2L2 3306/4885FBP1 542/4885P4HB 981/4885

“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.