SCHEMBL4007795

SCHEMBL4007795

CCc1ccc(Cc2ccc(CC(=O)O)cc2OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.51
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
RXRB P28702 5/20 0.45
RXRA P19793 4/20 0.45
RXRG P48443 3/20 0.45
ELANE P08246 4/20 0.43
F2 P00734 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.42
BRD4 O60885 1/20 0.42
APP P05067 1/20 0.42
CFD P00746 1/20 0.42

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
SCHEMBL3998721 0.90 HTT (0.44) SLC22A12PTGER1PTGER4PTGER3PTGER2
SCHEMBL11844159 0.86 MAPK1 (0.46) GAATDP1NPC1RAB9A
SCHEMBL4003289 0.85 ELANE (0.43) ELANEF2TSHRTDP1CTSG
SCHEMBL4287560 0.85 ALDH1A1 (0.54) FFAR4RXRBRXRARXRGALDH1A1
SCHEMBL3999257 0.85 RXRA (0.56) PTGER1PTGER4PTGER3PTGER2RXRB
SCHEMBL4285234 0.83 GAA (0.41) PTGER4PTGER2RXRBRXRARXRG
SCHEMBL4289037 0.83 CYP4F2 (0.50) FFAR4FFAR1BRD4APP
SCHEMBL7105680 0.82 MAPT (0.47) RXRBRXRARXRGALDH1A1GAA
SCHEMBL4001117 0.82 LMNA (0.52) RXRBRXRARXRGBRD4NPC1
SCHEMBL4285680 0.81 TACR2 (0.51) ALDH1A1GAATDP1APPNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541341-B2 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-7129381-B2 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-10-31 US disclosed
US-7053060-B2 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-05-30 US disclosed
EP-1367060-B1 GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2005-12-28 EP disclosed
US-20050113315-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. 2005-05-26 US disclosed
US-20050059614-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. 2005-03-17 US disclosed
US-20040138148-A1 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 US disclosed
US-20040063170-A1 Glucopyranosyloxybenzyl benzene derivatives, medicinal compositions containing the same and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1367060-A1 GLUCOPYRANOSYLOXYBENZYLBENZENE DERIVATIVES AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-12-03 EP disclosed
EP-1344780-A1 GLUCOPYRANOSYLOXYBENZYL BENZENE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-09-17 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 (3 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-20040138148-A1 Glucopyranosyloxybenzylbenzene derivatives and medicinal use thereof SLC5A2, SLC5A1, SLC2A1 SLC22A12 47/4885PTGER1 2646/4885PTGER4 2995/4885
US-20050113315-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A2, SLC5A1, SLC2A2 SLC22A12 75/4885PTGER1 2838/4885PTGER4 2599/4885
US-20050059614-A1 Glucopyranosyloxybenzylbenzene derivatives, medicinal compositions containing the same and intermediates in the production thereof SLC5A2, SLC5A1, SLC2A2 SLC22A12 80/4885PTGER1 2506/4885PTGER4 2383/4885

“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.