SCHEMBL16449183

SCHEMBL16449183

CC(F)(F)C(=O)c1cc(Br)cc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PARP1 P09874 1/20 0.32
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MAPK14 Q16539 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
MLYCD O95822 2/20 0.32
DDR1 Q08345 2/20 0.32
PTPN1 P18031 1/20 0.32
CES1 P23141 1/20 0.31
CES2 O00748 1/20 0.31
TP53BP1 Q12888 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
SCHEMBL2560056 0.82 CES1 (0.48) NOTUMACHEMLYCDCES1
SCHEMBL16449234 0.80 PARP1 (0.53) ACHEMEN1KMT2ASMN1; SMN2PARP1
SCHEMBL19136385 0.79 MEN1 (0.41) NOTUMMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL18950068 0.78 NOTUM (0.41) NOTUMPARP1POLBHCAR2MLYCD
SCHEMBL13050412 0.76 NOTUM (0.40) NOTUMACHEMEN1KMT2ASMN1; SMN2
SCHEMBL16449232 0.76 TPMT (0.50) ACHELMNA
SCHEMBL13095524 0.75 ACHE (0.57) NOTUMACHEMEN1KMT2ASMN1; SMN2
SCHEMBL16449185 0.74 CES2 (0.61) NOTUMACHEMLYCDCES1CES2
SCHEMBL19136413 0.74 TPMT (0.48) ACHEMEN1KMT2ARAB9A
SCHEMBL16449233 0.74 HDAC1 (0.35) NOTUMACHEMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2015-04-30 US disclosed
US-8952175-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-10 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-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 NOTUM 591/4885ACHE 584/4885MEN1 2258/4885

“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.