SCHEMBL6005099

SCHEMBL6005099

COc1ccccc1C(=O)c1ccccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.68
HTT P42858 1/20 0.62
KMT2A Q03164 2/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
AKR1C3 P42330 2/20 0.55
ALDH1A1 P00352 5/20 0.54
ALOX15 P16050 1/20 0.54
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
CTSD P07339 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ESR1 P03372 1/20 0.52
ITGB3 P05106 1/20 0.52

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
SCHEMBL27789892 0.92 CTSD (0.60) CDC25BHTTCA12CA1CA2
Phthalic Acid SCHEMBL8680432 0.90 HTT (0.75) CDC25BHTTKMT2ACA12CA1
SCHEMBL29658169 0.90 CTSD (0.62) HTTCA12CA1CA2CA7
SCHEMBL322168 0.90 CTSD (0.62) HTTCA12CA1CA2CA7
SCHEMBL3527 0.88 HTT (0.78) CDC25BHTTKMT2ACA12CA1
SCHEMBL29365231 0.88 HTT (0.78) CDC25BHTTKMT2ACA12CA1
SCHEMBL7085117 0.87 CDC25B (0.57) CDC25BHTTKMT2ACA12CA1
SCHEMBL10404879 0.86 HTT (0.75) CDC25BHTTKMT2ACA12CA1
Ammonia Solution, Strong SCHEMBL22437491 0.86 HTT (0.75) CDC25BHTTKMT2ACA12CA1
Bicarbonate SCHEMBL21517635 0.86 HTT (0.75) CDC25BHTTKMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4093577-A ESTERIFYING WITH AN UNSATURATED FATTY ACID A RESIN PRODUCED FROM A DIALKYLAMINOBENZOIC ACID OR A CARBOXY-CONTAINING BENZOPHENONE WITH A POLYBASIC ACID AND A POLYHYDRIC ALCOHOL TOYO INK MANUFACTURING CO., LTD. (JA) 1978-06-06 US claimed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-0127203-B1 NEW PHTHALIDE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND RECORDING SYSTEM UTILIZING THE SAME AS COLOURLESS CHROMOGENIC MATERIAL KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1989-06-28 EP disclosed
US-4093577-A ESTERIFYING WITH AN UNSATURATED FATTY ACID A RESIN PRODUCED FROM A DIALKYLAMINOBENZOIC ACID OR A CARBOXY-CONTAINING BENZOPHENONE WITH A POLYBASIC ACID AND A POLYHYDRIC ALCOHOL TOYO INK MANUFACTURING CO., LTD. (JA) 1978-06-06 US 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 CDC25B 3915/4885HTT 3195/4885KMT2A 2387/4885

“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.