SCHEMBL1801577

SCHEMBL1801577

CCOC(=O)c1c(C)oc(C(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
USP2 O75604 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
MITF O75030 2/20 0.44
RECQL P46063 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE4D Q08499 1/20 0.43
MAPT P10636 5/20 0.42
APAF1 O14727 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.42
PTGS2 P35354 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL1803574 0.84 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPC1MITF
SCHEMBL11152089 0.81 ALDH1A1 (0.50) ALDH1A1USP2HPGDSMN1; SMN2NPC1
SCHEMBL7828123 0.79 ALDH1A1 (0.53) ALDH1A1USP2HPGDSMN1; SMN2NPC1
SCHEMBL10726878 0.78 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2NPC1MITF
SCHEMBL3009213 0.78 CYP1A2 (0.50) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL23461865 0.78 HPGD (0.49) ALDH1A1USP2HPGDSMN1; SMN2NPC1
SCHEMBL1800013 0.77 HPGD (0.54) ALDH1A1HPGDSMN1; SMN2NPC1RECQL
SCHEMBL96205 0.76 HPGD (0.50) ALDH1A1USP2HPGDSMN1; SMN2NPC1
SCHEMBL1124383 0.75 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2NPC1MITF
SCHEMBL21119059 0.75 CYP1A2 (0.41) ALDH1A1HPGDMITFHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911755-B1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO LTD (JP) 2011-09-14 EP disclosed
US-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US disclosed
US-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US disclosed
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 US disclosed
CN-101223160-A Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICAL CO LTD (JP) 2008-07-16 CN disclosed
EP-1911755-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-16 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 (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-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE PTGS1, PTGIS, PTGES ALDH1A1 368/4885USP2 4490/4885HPGD 16/4885

“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.