SCHEMBL3607988

SCHEMBL3607988

COCOc1cc(Oc2ccc(C(C)=O)cc2)cc(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 1/20 0.51
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESRRA P11474 1/20 0.41
CREBBP Q92793 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BLM P54132 1/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 1/20 0.40
MAOB P27338 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL12487393 0.86 MAPT (0.42) MAPTRAB9AHPGDUSP2L3MBTL1
SCHEMBL3600051 0.86 SMN1; SMN2 (0.55) MAPTRAB9AHPGDUSP2L3MBTL1
SCHEMBL3611844 0.84 ALDH1A1 (0.51) MAPTRAB9AHPGDUSP2CA1
SCHEMBL3602828 0.84 PARP15 (0.47) MAPTRAB9AUSP2POLBNPC1
SCHEMBL644054 0.84 CA1 (0.48) MAPTRAB9AHPGDUSP2L3MBTL1
SCHEMBL3603132 0.83 GCK (0.48)
SCHEMBL3604464 0.82 MAPT (0.38) MAPTRAB9AUSP2GAACA1
SCHEMBL3609653 0.81 MAPT (0.38) MAPTRAB9AUSP2GAACA1
SCHEMBL3604491 0.81 TSHR (0.43) MAPTRAB9AHPGDUSP2NPC1
SCHEMBL6243324 0.81 CA1 (0.48) MAPTRAB9AHPGDUSP2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK MAPT 4717/4885RAB9A 3584/4885HPGD 2765/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 MAPT 3837/4885RAB9A 2308/4885HPGD 1277/4885

“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.