SCHEMBL17700331

SCHEMBL17700331

CCOC(=O)CC(C)(C)c1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 3/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1B P49286 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 4/20 0.42
PPARG P37231 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
MTNR1A P48039 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6898820 0.89 ALDH1A1 (0.45) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL2501365 0.87 LMNA (0.46) MAPK1TSHRMTNR1BSMN1; SMN2MAPT
SCHEMBL3537531 0.86 CNR1 (0.44) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL3532960 0.86 ALDH1A1 (0.43) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL31316615 0.83 SMN1; SMN2 (0.41) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL17700298 0.82 POLB (0.44) ALDH1A1SMN1; SMN2HPGD
SCHEMBL13221587 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL2501471 0.82 LMNA (0.53) MAPK1MTNR1BSMN1; SMN2MAPTCES2
SCHEMBL11816273 0.81 SMN1; SMN2 (0.42) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL19305036 0.81 ALDH1A1 (0.55) ALDH1A1MAPK1TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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 (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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 ALDH1A1 3137/4885MAPK1 216/4885TSHR 731/4885

“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.