SCHEMBL7689047

SCHEMBL7689047

CCOCc1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 8/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
FDPS P14324 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 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
SCHEMBL541805 0.86 ALOX15 (0.45) ALDH1A1IDO1CYP3A4ALOX15CASP1
SCHEMBL648250 0.84 IDO1 (0.39) ALDH1A1IDO1TDP1L3MBTL1MAPT
SCHEMBL8662272 0.83 CYP1A2 (0.44) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL20008258 0.82 CYP3A4 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19IDO1
SCHEMBL18217417 0.82 CYP3A4 (0.41) ALDH1A1IDO1CYP3A4ALOX15CASP1
SCHEMBL25084418 0.80 GABRA1 (0.42) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL27419952 0.80 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL9452735 0.80 CYP1A2 (0.55) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL30844600 0.80 GABRA1 (0.42) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL9149663 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19

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-3088382-B1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-07-11 EP disclosed
US-9561998-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-11-03 US disclosed
EP-3088382-A1 METHOD FOR PRODUCING NITRO COMPOUND Sumitomo Chemical Company Limited (JP) 2016-11-02 EP disclosed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed
EP-0361230-B1 Mixtures from polyamides, aromatic polycarbonates and maleic imide copolymeres and use of them as thermoplastic moulding compositions BAYER AG (DE) 1994-01-12 EP disclosed
EP-0361230-A2 Mixtures from polyamides, aromatic polycarbonates and maleic imide copolymeres and use of them as thermoplastic moulding compositions BAYER AG (DE) 1990-04-04 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-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND NOS1, NOS3, NOS2 ALDH1A1 2305/4885HSD17B10 1292/4885CYP1A2 125/4885

“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.