SCHEMBL2366873

SCHEMBL2366873

OCCCc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 1/20 0.36
KRAS P01116 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3415768 0.85 ALDH1A1 (0.43) TLR8ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL18242334 0.76 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL1926900 0.76 TAAR1 (0.54) TLR8TSHRHSD17B10CYP3A4CYP1A2
SCHEMBL11239663 0.76 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL8106157 0.76 NPC1 (0.43) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL6130331 0.76 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL18242042 0.74 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL6136788 0.74 CYP11B1 (0.38) TLR8SIRT2KDM4EPOLB
SCHEMBL1589651 0.74 GPR17 (0.46)
SCHEMBL320021 0.74 TSHR (0.48) ALDH1A1TSHRHSD17B10CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364293-B1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-23 EP disclosed
EP-2364293-B1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-23 EP disclosed
US-8258169-B2 Pyrazole-4-N-alkoxycarboxamides as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2012-09-04 US disclosed
US-8258169-B2 Pyrazole-4-N-alkoxycarboxamides as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2012-09-04 US disclosed
US-8258169-B2 Pyrazole-4-N-alkoxycarboxamides as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2012-09-04 US disclosed
US-20110230537-A1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-22 US disclosed
US-20110230537-A1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-22 US disclosed
US-20110230537-A1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-22 US disclosed
EP-2364293-A2 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2011-09-14 EP disclosed
WO-2010063700-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-10 WO disclosed
WO-2010063700-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-10 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-20110230537-A1 NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES CASP1, CASP14, CD14 TLR8 81/4885ALDH1A1 390/4885TSHR 4062/4885

“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.