SCHEMBL706766

SCHEMBL706766

CCOC(=O)Cc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.46
RIPK1 Q13546 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43

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
SCHEMBL5643889 0.88 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2POLBMAPT
SCHEMBL10258195 0.87 NLRP3 (0.43) ALDH1A1TDP1SMN1; SMN2KMT2ACYP1A2
SCHEMBL16964144 0.87 MEN1 (0.44) ALDH1A1TDP1SMN1; SMN2POLBMAPT
SCHEMBL13576768 0.87 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2POLBMAPT
SCHEMBL30501843 0.87 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2POLBMAPT
SCHEMBL18642529 0.87 EGFR (0.47) ALDH1A1TDP1POLBMAPTMEN1
SCHEMBL29853015 0.87 EGFR (0.47) ALDH1A1TDP1POLBMAPTMEN1
SCHEMBL15011980 0.85 EGFR (0.52) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL4049746 0.84 LMNA (0.44) ALDH1A1TDP1SMN1; SMN2MAPTKMT2A
SCHEMBL12069886 0.84 MAPT (0.44) MAPTMEN1KMT2ANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
WO-2023078267-A1 AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR 赛诺哈勃药业(成都)有限公司 2023-05-11 WO disclosed
WO-2023078267-A1 AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR 赛诺哈勃药业(成都)有限公司 2023-05-11 WO disclosed
CN-116063326-A Amino-containing macrocyclic compounds as protein kinase modulators 赛诺哈勃药业(成都)有限公司 2023-05-05 CN disclosed
US-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-11 US disclosed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 US disclosed
EP-3541812-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS Takeda Pharmaceutical Company Limited (JP) 2019-09-25 EP disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
EP-3408256-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS Takeda Pharmaceutical Company Limited (JP) 2018-12-05 EP disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
US-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same CJC CORPORATION (KR) 2008-04-17 US disclosed
WO-2005051941-A1 THIONE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2005-06-09 WO disclosed
CN-1572782-A Process for the preparation of fluorophenylalkylene acid derivatives DAINIPPON INK & CHEMICALS (JP) 2005-02-02 CN disclosed
EP-1484304-A1 Process for the preparation of fluorophenylalkylene acid derivatives DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-12-08 EP disclosed
EP-0318214-B1 Tri- and tetra-substituted-oxetanes and -tetrahydrofurans and intermediates thereof SCHERING CORP (US) 1994-12-14 EP disclosed
EP-0386143-A1 TRI- AND TETRA-SUBSTITUTED-OXETANES AND TETRAHYDROFURANS AND INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1990-09-12 EP disclosed
WO-1989004829-A1 TRI- AND TETRA-SUBSTITUTED-OXETANES AND TETRAHYDROFURANS AND INTERMEDIATES THEREOF SCHERING CORPORATION (US) 1989-06-01 WO disclosed
EP-0318214-A1 Tri- and tetra-substituted-oxetanes and -tetrahydrofurans and intermediates thereof SCHERING CORPORATION (US) 1989-05-31 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 (5 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-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same TPMT, TST, CYP3A5 ALDH1A1 248/4885TDP1 207/4885SMN1; SMN2 3725/4885
US-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions GRM7, GRM2, GRM1 ALDH1A1 3444/4885TDP1 4111/4885SMN1; SMN2 486/4885
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 ALDH1A1 4197/4885TDP1 509/4885SMN1; SMN2 2913/4885
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 ALDH1A1 2821/4885TDP1 3784/4885SMN1; SMN2 1647/4885
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS GRM7, GRM2, GRM1 ALDH1A1 3444/4885TDP1 4111/4885SMN1; SMN2 486/4885

“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.