SCHEMBL11219628

SCHEMBL11219628

CCOC(=O)c1cc(O)nc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.66
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
CA7 P43166 3/20 0.66
CA9 Q16790 3/20 0.66
CA14 Q9ULX7 3/20 0.66
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
BCL2L1 Q07817 1/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC2A1 P11166 1/20 0.51
CYP1A2 P05177 3/20 0.49
PTPN11 Q06124 2/20 0.49
CYP2D6 P10635 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL2085156 0.91 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8974754 0.88 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL19330218 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1664013 0.83 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL18773577 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL9128544 0.80 CYP1A2 (0.63) CA12CA1CA2CA7CA9
SCHEMBL475700 0.79 CA12 (0.92) CA12CA1CA2CA7CA9
SCHEMBL39026 0.79 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL3858351 0.79 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL3858347 0.79 CA12 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2010-07-29 US disclosed
US-20090053455-A1 OPTICAL RECORDING MEDIUM, METAL COMPLEX COMPOUND AND ORGANIC DYE COMPOUND MITSUBISHI KAGAKU MEDIA CO., LTD (JP) 2009-02-26 US disclosed
EP-1864822-A1 OPTICAL RECORDING MEDIUM, METAL COMPLEX COMPOUND AND ORGANIC DYE COMPOUND Mitsubishi Kagaku Media Corporation, Ltd. (JP) 2007-12-12 EP disclosed
EP-0019299-B1 PHOTOGRAPHIC SILVER HALIDE MATERIAL HAVING A COLOR FILTER LAYER OR AN ANTIHALATION DYE LAYER CIBA-GEIGY AG (CH) 1983-07-27 EP disclosed
EP-0013936-B1 REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS BAYER AG (DE) 1982-09-22 EP disclosed
US-4327018-A Azo dyes and the production and use thereof CIBA-GEIGY CORPORATION (US) 1982-04-27 US disclosed
US-4299764-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed
US-4294916-A METHINE DYES CIBA-GEIGY AG (CH) 1981-10-13 US disclosed
US-4294917-A METHINE DYES CIBA-GEIGY AG (CH) 1981-10-13 US disclosed
US-4233399-A Photographic elements containing amino-substituted hydroxy-pyridones CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-11-11 US disclosed
EP-0013936-A1 Reactive azo dyestuffs, their preparation and their use in dyeing materials containing hydroxyl groups and amide groups BAYER AG (DE) 1980-08-06 EP disclosed
US-4182886-A OPTICAL FILTERS IN COLOR PHOTOGRAPHY CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-01-08 US disclosed
US-4160643-A FOR POLYMERS OF ACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 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 (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-20090053455-A1 OPTICAL RECORDING MEDIUM, METAL COMPLEX COMPOUND AND ORGANIC DYE COMPOUND KCNJ2, KCNN2, KCNN3 CA12 1154/4885CA1 295/4885CA2 131/4885
US-20100190856-A1 Novel Polyhydroxylated Compounds as Fatty Acid Synthase (FASN) Inhibitors FASN, SCD, FADS2 CA12 4827/4885CA1 4396/4885CA2 4131/4885

“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.