SCHEMBL1353340

SCHEMBL1353340

COc1ccc(C(=O)O)cc1C(OC)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA4 P22748 2/20 0.62
CA6 P23280 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
TPMT P51580 1/20 0.62
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57
RAB9A P51151 2/20 0.57
MAPK1 P28482 1/20 0.57
TSHR P16473 4/20 0.57
TTR P02766 2/20 0.51
PKM P14618 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 2/20 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
SCHEMBL4695867 0.84 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL1351481 0.80 HSD17B2 (0.60) CA12CA1CA2CA7CA9
SCHEMBL20057570 0.79 CA12 (0.57) CA12CA1CA2CA4CA6
SCHEMBL7674114 0.79 TSHR (0.60) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL976032 0.77 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL114848 0.77 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL29386353 0.77 CA12 (1.00) CA12CA1CA2CA4CA6
SCHEMBL27636681 0.77 CA1 (0.52) CA12CA1CA2CA4CA6
SCHEMBL27315844 0.77 ACE2 (0.49) CA12CA1CA2CA4CA6
SCHEMBL1989676 0.76 TSHR (0.57) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063046-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-22 US disclosed
US-8063046-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-22 US disclosed
US-8063046-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-22 US disclosed
EP-1698618-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-18 EP disclosed
US-20100179326-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-20100179326-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-20100179326-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
US-7705053-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-27 US disclosed
US-7705053-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-27 US disclosed
US-7705053-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-27 US disclosed
US-20070123493-A1 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
US-20070123493-A1 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
US-20070123493-A1 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
EP-1698618-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-09-06 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-20070123493-A1 Benzamide derivative BDKRB1, BDKRB2, NR1H2 CA12 2136/4885CA1 2122/4885CA2 715/4885
US-20100179326-A1 BENZAMIDE DERIVATIVE NR0B2, NR1H2, CNR2 CA12 2416/4885CA1 2737/4885CA2 1307/4885

“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.