SCHEMBL10286104

SCHEMBL10286104

OC1CCCCc2ccc(C(F)(F)F)nc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.35
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ACHE P22303 1/20 0.32
TRPV3 Q8NET8 2/20 0.32
IDH1 O75874 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
P2RX7 Q99572 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL10287034 0.95 CYP11B1 (0.38) TRPV1CYP11B1CYP11B2HTR2AHTR2C
SCHEMBL10286285 0.76 ACHE (0.34) HTR2AHTR2CHTR2BACHEALDH1A1
SCHEMBL10286071 0.75 ACHE (0.32) ACHEP2RX7
SCHEMBL10286145 0.75 ACHE (0.32) ACHEP2RX7
SCHEMBL10287367 0.73 ACHE (0.38) CYP11B1CYP11B2ACHEALDH1A1P2RX7
SCHEMBL10286308 0.73 CCR1 (0.36) HTR2AHTR2CHTR2BACHE
SCHEMBL29893246 0.73 CYP11B1 (0.50) CYP11B1CYP11B2TRPV3HDAC8
SCHEMBL10286300 0.72 ACHE (0.35) ACHE
SCHEMBL10286327 0.71 ACHE (0.39) CYP11B1CYP11B2ACHEALDH1A1P2RX7
SCHEMBL10286368 0.71 RAB9A (0.40) ACHEALDH1A1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO TRPV1 3000/4885CYP11B1 738/4885CYP11B2 747/4885

“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.