SCHEMBL921342

SCHEMBL921342

CCCCc1ccc(Oc2ccc(CN)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 3/20 0.59
▸ HTR2A P28223 1/20 0.50
▸ S1PR1 P21453 1/20 0.47
▸ S1PR3 Q99500 1/20 0.47
▸ CA2 P00918 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LTA4H P09960 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL920362 0.94 HTR2A (0.58) ST14HTR2ACA2SMN1; SMN2ALDH1A1
SCHEMBL145761 0.90 LTA4H (0.52) HTR2AS1PR1S1PR3CA2SMN1; SMN2
SCHEMBL5597563 0.89 ST14 (0.51) ST14SMN1; SMN2LTA4HALDH1A1
SCHEMBL921748 0.88 ST14 (0.63) ST14CA2ALDH1A1THRBTAAR1
SCHEMBL394855 0.88 HTR2A (0.61) HTR2ACA2SMN1; SMN2CA1ALDH1A1
Hydrochloric Acid SCHEMBL920409 0.86 HTR2A (0.59) HTR2AS1PR1CA2SMN1; SMN2CA1
SCHEMBL6558445 0.85 ALDH1A1 (0.54) HTR2AS1PR1S1PR3CA2SMN1; SMN2
SCHEMBL16933886 0.84 RARB (0.55) S1PR1S1PR3CA2LTA4HCA1
SCHEMBL475118 0.84 ALDH1A1 (0.57) HTR2ASMN1; SMN2LTA4HALDH1A1HSD17B10
SCHEMBL5614714 0.82 LTA4H (0.66) LTA4HALDH1A1HPGDHSD17B10

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
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 — — CN disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 — — US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 — — US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 — — US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 — — EP disclosed
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 — — WO disclosed
US-5264448-A Thioamides, oxazole ring, insecticides, miticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 — — US disclosed
EP-0394043-A1 An amide compound and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-24 — — 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ST14 708/4885HTR2A 4680/4885S1PR1 3099/4885

“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.

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