SCHEMBL3223952

SCHEMBL3223952

C=C(Cl)COc1ccc[c]c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
HPGD P15428 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL921738 0.82 HTT (0.34)
SCHEMBL920911 0.75 AOC2 (0.32)
SCHEMBL920913 0.75 AOC2 (0.32)
SCHEMBL920344 0.74 L3MBTL1 (0.36) KDM4EALDH1A1
SCHEMBL15238589 0.74 IDO1 (0.40) KDM4EALDH1A1
SCHEMBL920555 0.74 KDM4E (0.35) KDM4E
SCHEMBL160177 0.73 L3MBTL1 (0.46) HTR2CHTR2AALDH1A1
SCHEMBL921324 0.72 HPGD (0.42) HTR2CHTR2AHPGDKDM4EALDH1A1
SCHEMBL919523 0.72 L3MBTL1 (0.39) KDM4EALDH1A1
SCHEMBL919356 0.72 ADRA2A (0.36) HPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX HTR2C 4635/4885HTR2A 4686/4885HPGD 1430/4885

“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.