SCHEMBL5340895

SCHEMBL5340895

COc1ccc(C(CC(=O)O)CC(=O)OC(=O)CC(CC(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
FFAR1 O14842 8/20 0.58
FNTA P49354 3/20 0.54
FNTB P49356 3/20 0.54
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.49
ITGB3 P05106 3/20 0.46
ITGAV P06756 3/20 0.46

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
SCHEMBL2226074 0.92 L3MBTL1 (0.68) L3MBTL1FFAR1FNTAFNTBKMT2A
SCHEMBL11221382 0.84 LMNA (0.43) L3MBTL1FFAR1FNTAFNTBPOLB
SCHEMBL2471169 0.83 FNTA (0.50) L3MBTL1FFAR1FNTAFNTBKMT2A
SCHEMBL4453571 0.83 FFAR1 (0.78) L3MBTL1FFAR1FNTAFNTBKMT2A
SCHEMBL8589119 0.83 L3MBTL1 (0.61) L3MBTL1FFAR1FNTAFNTBKMT2A
SCHEMBL10200947 0.82 GABBR2 (0.64) L3MBTL1FFAR1FNTAFNTBKMT2A
SCHEMBL9541616 0.81 GABBR2 (0.61) FNTAFNTBKMT2APOLB
SCHEMBL657290 0.81 GABBR2 (0.61) FNTAFNTBKMT2APOLB
SCHEMBL2471681 0.80 GAA (0.56) POLB
SCHEMBL657719 0.80 FNTA (0.50) FFAR1FNTAFNTBKMT2AITGB3

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
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 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 (2 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 L3MBTL1 646/4885FFAR1 2448/4885FNTA 4479/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 L3MBTL1 2384/4885FFAR1 1902/4885FNTA 3429/4885

“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.