SCHEMBL855592

SCHEMBL855592

O=C1OC(=O)c2c(Cl)cc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TYMS P04818 1/20 0.35
PDK2 Q15119 1/20 0.35
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM2 Q14416 1/20 0.34
IDO1 P14902 1/20 0.32
NOTUM Q6P988 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
SCHEMBL855916 0.81 ALDH1A1 (0.42) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL854628 0.79 TGM2 (0.38) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL4924952 0.76 ALDH1A1 (0.38) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL23198934 0.76 TSHR (0.38) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL854471 0.76 TSHR (0.38) TSHRALOX15TDP1
SCHEMBL854561 0.74 ALDH1A1 (0.41) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL28283847 0.73 ALOX15 (0.32) ALOX15TDP1
SCHEMBL13000512 0.72 TYMS (0.42) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL853556 0.72 ALDH1A1 (0.48) ALDH1A1TSHRTYMSALOX15TDP1
SCHEMBL125544 0.72 TTR (0.57) ALDH1A1TSHRALOX15TDP1KDM4E

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
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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 (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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 ALDH1A1 928/4885TSHR 2047/4885TYMS 4155/4885

“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.