SCHEMBL11014337

SCHEMBL11014337

COC(=O)C(C)c1ccc(OC(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
GFER P55789 1/20 0.49
ADAM17 P78536 1/20 0.49
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PDE2A O00408 2/20 0.42
MT-CO2 P00403 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACACB O00763 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL11471176 0.87 TDP1 (0.58) L3MBTL1PTGS1PTGS2TDP1LMNA
SCHEMBL11458749 0.85 TDP1 (0.56) L3MBTL1PTGS1PTGS2TDP1LMNA
SCHEMBL27738099 0.84 ALOX15 (0.49) ALOX15GFERADAM17PKMHPGD
SCHEMBL10707144 0.83 KMT2A (0.47) ALOX15GFERADAM17PKML3MBTL1
SCHEMBL10881708 0.82 PTGS2 (0.52) ALOX15GFERADAM17ATMALDH1A1
SCHEMBL4007061 0.82 MEN1 (0.54) HPGDL3MBTL1KMT2AMEN1PTGS1
SCHEMBL28449377 0.82 HPGD (0.50) HPGDL3MBTL1KMT2AMT-CO2ALDH1A1
SCHEMBL30827495 0.81 ALOX15 (0.47) ALOX15GFERADAM17PKML3MBTL1
SCHEMBL18358283 0.81 ALOX15 (0.47) ALOX15GFERADAM17PKML3MBTL1
SCHEMBL30660823 0.81 KMT2A (0.45) ALOX15GFERADAM17PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-108602760-A Indane derivatives as MG L UR7 modulators 武田药品工业株式会社 2018-09-28 CN disclosed
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed
EP-0151702-A2 Alpha-hydroxyketone acetals SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-08-21 EP disclosed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 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 (1 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-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 ALOX15 4096/4885GFER 2726/4885ADAM17 4404/4885

“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.