SCHEMBL2367040

SCHEMBL2367040

CONCC(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ACACB O00763 3/20 0.40
NR1H4 Q96RI1 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GRIA4 P48058 3/20 0.39
REN P00797 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7966471 0.81 TP53 (0.51) TP53TSHREBPSIGMAR1ACACB
SCHEMBL19026636 0.79 TP53 (0.50) TP53TSHREBPSIGMAR1ACACB
SCHEMBL7969008 0.75 TP53 (0.50) TP53TSHREBPSIGMAR1ACACB
SCHEMBL7965870 0.73 REN (0.51) TP53TSHREBPSIGMAR1ACACB
SCHEMBL8678455 0.73 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB
SCHEMBL8323180 0.73 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB
SCHEMBL444104 0.73 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB
SCHEMBL10667108 0.73 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB
SCHEMBL9296848 0.73 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB
SCHEMBL8840559 0.73 TSHR (0.55) TP53TSHREBPSIGMAR1ACACB

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 TP53 3773/4885TSHR 4062/4885EBP 1057/4885

“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.