SCHEMBL18796398

SCHEMBL18796398

Cc1nc2c(F)c(F)ccc2cc1Oc1cccc(F)c1N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.34
▸ TRPA1 O75762 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ HCAR1 Q9BXC0 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL26440720 0.86 PDE2A (0.34) MAP4K4TRPA1ALDH1A1ESR1FFAR1
SCHEMBL18796049 0.85 MAPT (0.44) MAP4K4ALDH1A1ESR1LMNAPOLB
SCHEMBL18796008 0.84 ALDH1A1 (0.32) ALDH1A1ESR1FFAR1LMNAPOLB
SCHEMBL20104491 0.83 KDM4E (0.38) ALDH1A1ESR1FFAR1LMNAPOLB
SCHEMBL18796130 0.82 ALDH1A1 (0.30) ALDH1A1ESR1
SCHEMBL21462316 0.82 ABCG2 (0.33) ALDH1A1ESR1
SCHEMBL21462376 0.82 KMT2A (0.32) ALDH1A1ESR1MAPT
SCHEMBL19901396 0.82 ALDH1A1 (0.30) ALDH1A1ESR1
SCHEMBL21858424 0.81 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL18796243 0.81 — —

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
EP-3368514-B1 TRISUBSTITUTED SILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AG (DE) 2021-08-18 — — EP disclosed
US-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-16 — — US disclosed
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 — — US disclosed
EP-3368514-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES Bayer CropScience Aktiengesellschaft (DE) 2018-09-05 — — EP disclosed
WO-2017072283-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 — — WO 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-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues PIK3C3, ERG28, DDT MAP4K4 1977/4885TRPA1 2988/4885ALDH1A1 3139/4885
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT MAP4K4 1977/4885TRPA1 2988/4885ALDH1A1 3139/4885

“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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