SCHEMBL13609830

SCHEMBL13609830

C=C(C)C(=O)Oc1ccc2ccccc2c1N=Nc1ccc(C)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NCEH1 Q6PIU2 3/20 0.36
▸ GLO1 Q04760 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MPL P40238 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33

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
SCHEMBL373812 0.89 THRB (0.43) THRBALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL13609834 0.87 THRB (0.45) THRBALDH1A1L3MBTL1GAAKMT2A
SCHEMBL13609825 0.83 CYP1A2 (0.43) THRBALDH1A1L3MBTL1GAAHIF1A
SCHEMBL24025824 0.82 THRB (0.57) THRBALDH1A1L3MBTL1GAAATM
SCHEMBL13609828 0.80 THRB (0.51) THRBALDH1A1L3MBTL1GAAKMT2A
SCHEMBL13609833 0.79 THRB (0.50) THRBALDH1A1L3MBTL1GAAKMT2A
SCHEMBL13609831 0.77 HPGD (0.42) ALDH1A1GAAKMT2ANPC1MEN1
SCHEMBL8461850 0.77 KMT2A (0.41) THRBALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL13609832 0.77 KMT2A (0.43) ALDH1A1L3MBTL1GAAKMT2ANPC1
SCHEMBL4159058 0.76 THRB (1.00) THRBALDH1A1L3MBTL1GAAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS MENICON CO., LTD. (JP) 2013-08-08 — — US disclosed
US-8338529-B2 Oil repellent copolymer, method for its production and oil repellent treatment solution ASAHI GLASS COMPANY, LIMITED (JP) 2012-12-25 — — US disclosed
US-8338529-B2 Oil repellent copolymer, method for its production and oil repellent treatment solution ASAHI GLASS COMPANY, LIMITED (JP) 2012-12-25 — — US disclosed
US-20090281239-A1 OIL REPELLENT COPOLYMER, METHOD FOR ITS PRODUCTION AND OIL REPELLENT TREATMENT SOLUTION ASAHI GLASS COMPANY LIMITED (JP) 2009-11-12 — — US disclosed
US-20090281239-A1 OIL REPELLENT COPOLYMER, METHOD FOR ITS PRODUCTION AND OIL REPELLENT TREATMENT SOLUTION ASAHI GLASS COMPANY LIMITED (JP) 2009-11-12 — — 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-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS CRYZ, CRYAA, VIL1 THRB 4713/4885ALDH1A1 2196/4885L3MBTL1 1936/4885

“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.

Send feedback