SCHEMBL7040294

SCHEMBL7040294

[O]c1cccc(Oc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
F2 P00734 4/20 0.46
F10 P00742 4/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
LTA4H P09960 1/20 0.44
TSHR P16473 1/20 0.44
MAP4K4 O95819 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2521152 0.87 LTA4H (0.58) HTTALDH1A1F2F10PRSS1
SCHEMBL16511926 0.78 F2 (0.48) HTTALDH1A1F2F10PRSS1
SCHEMBL31026898 0.75 F2 (0.46) HTTALDH1A1F2F10PRSS1
SCHEMBL4286 0.75 F2 (0.46) HTTALDH1A1F2F10PRSS1
SCHEMBL30072804 0.75 MEN1 (0.54) HTTALDH1A1F2F10PRSS1
SCHEMBL7040298 0.75 F2 (0.50) HTTALDH1A1F2F10PRSS1
SCHEMBL4359483 0.75 MEN1 (0.54) HTTALDH1A1F2F10PRSS1
SCHEMBL8941674 0.75 F2 (0.46) HTTALDH1A1F2F10PRSS1
SCHEMBL2144265 0.75 BCAT2 (0.55) HTTALDH1A1F2F10PRSS1
SCHEMBL2144034 0.75 L3MBTL1 (0.54) HTTALDH1A1F2F10PRSS1

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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
WO-1998045266-A1 3-AMINOPYRIDINE DERIVATIVES FOR TREATMENT OF INFLAMMATORY AND MALIGNANT DISEASES FERRING B.V. (NL) 1998-10-15 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 HTT 1382/4885ALDH1A1 1119/4885F2 2992/4885

“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.