SCHEMBL969512

SCHEMBL969512

COC(=O)c1ccc(C)cc1Oc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
MAPT P10636 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GLO1 Q04760 1/20 0.45
NR4A2 P43354 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL708836 0.84 ALDH1A1 (0.47) MAPTHSP90AA1HTTNPSR1NR4A2
SCHEMBL5193324 0.82 TDP1 (0.56) CA1CA2MAPTNPSR1MEN1
SCHEMBL29826422 0.82 TDP1 (0.56) CA1CA2MAPTNPSR1MEN1
SCHEMBL2968723 0.80 MAPT (0.51) CA12CA1CA2CA7CA9
SCHEMBL27411835 0.80 CYP46A1 (0.48) MAPTHSP90AA1HTTNPSR1NR4A2
SCHEMBL136101 0.79 MAPT (0.60) CA12CA1CA2CA7CA9
SCHEMBL432 0.76 MEN1 (0.56) MAPTHSP90AA1HTTNPSR1MEN1
SCHEMBL2847294 0.76 TDP1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL23045196 0.76 MAPT (0.50) CA12CA1CA2CA7CA9
SCHEMBL6150468 0.75 KMT2A (0.48) MEN1KMT2AGAALTA4HESR1

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
EP-1695955-B1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO (JP) 2011-10-12 EP disclosed
US-7875745-B2 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4- methylphenyl)-3-hydroxylpropyl]-1H-pyrrol-3-yl}acetic acid; for urinary system disease selected from the group of prostatic hypertrophy, neurogenic bladder dysfunction disease, dysuria, pollakiuria, night urination and urodynia ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1695955-A1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-30 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 (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-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 CA12 1911/4885CA1 2199/4885CA2 793/4885

“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.