SCHEMBL6663239

SCHEMBL6663239

Cc1c(Cl)ccc(Cl)c1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
CES1 P23141 1/20 0.35
TYR P14679 1/20 0.34
CYP2A6 P11509 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 2/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
CASP3 P42574 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL23088387 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL5647051 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL19682803 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL30600426 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL11044764 0.79 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL909851 0.76 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL189622 0.74 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL6015170 0.73 TDP1 (0.46) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL17190700 0.73 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATDP1HSD17B10
SCHEMBL19643002 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATDP1MAPT

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
EP-1131307-B1 METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES BASF AG (DE) 2004-08-25 EP disclosed
US-6716989-B2 CYCLIZATION OF A BENZYLOXIME WITH BRANCHED ALKENE OR OF A BENZALKYLALDEHYDE WITH HYDROXYLAMINE AND SULFIDING BASF AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed
US-20030229232-A1 Herbicides RACK MICHAEL (DE) 2003-12-11 US disclosed
US-6603017-B2 Herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
US-6548677-B1 Halogenating o-xylene; reacting with hydrogen peroxide and halogenating agent to form a benzyl halide; oxidation to aldehyde; oximination, cyclization, and sulfiding BASF AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020156290-A1 Herbicides RACK MICHAEL (DE) 2002-10-24 US disclosed
EP-1131307-A1 METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
WO-2000029395-A1 METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 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-20020156290-A1 Herbicides CBR3, CBR1, SULT1E1 ALDH1A1 94/4885MEN1 4651/4885KMT2A 1808/4885
US-20030229232-A1 Herbicides CBR3, CBR1, SULT1E1 ALDH1A1 100/4885MEN1 4665/4885KMT2A 1842/4885

“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.