SCHEMBL12379044

SCHEMBL12379044

Cc1c(C(=O)Cl)cc(F)c(F)c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
POLB P06746 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HSD17B1 P14061 3/20 0.33
HSD17B2 P37059 3/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
APEX1 P27695 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL1408926 0.89 ALDH1A1 (0.43) ALDH1A1ALOX15CES2CES1POLB
SCHEMBL1408469 0.88 ALDH1A1 (0.42) ALDH1A1ALOX15CES2CES1POLB
SCHEMBL10474303 0.86 ALDH1A1 (0.41) ALDH1A1ALOX15CES2CES1POLB
SCHEMBL1020497 0.81 ALDH1A1 (0.43) ALDH1A1ALOX15CES2CES1POLB
SCHEMBL10625944 0.80 ALDH1A1 (0.39) ALDH1A1ALOX15CES2CES1POLB
SCHEMBL18186528 0.80 HSD17B1 (0.38) ALDH1A1ALOX15CES2CES1HSD17B1
SCHEMBL29690316 0.78 ALDH1A1 (0.45) ALDH1A1ALOX15CES2CES1POLB
SCHEMBL8160121 0.78 ALDH1A1 (0.45) ALDH1A1ALOX15CES2CES1POLB
SCHEMBL345016 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15CES2CES1POLB
SCHEMBL10539276 0.78 ALDH1A1 (0.41) ALDH1A1ALOX15POLBHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-7956010-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100048701-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-25 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 (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-20100056640-A1 AMIDE COMPOUND AND USE THEREOF NAT1, AGXT, HAX1 ALDH1A1 2983/4885ALOX15 2405/4885CES2 179/4885
US-20100048701-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 ALDH1A1 2614/4885ALOX15 147/4885CES2 419/4885

“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.