SCHEMBL7035569

SCHEMBL7035569

OCCCCCn1ccnn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.37
GBA1 P04062 2/20 0.36
FOLH1 Q04609 1/20 0.33
DPP4 P27487 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
MPO P05164 1/20 0.31
CYP1A1 P04798 1/20 0.31

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
SCHEMBL3117590 0.98 CYP19A1 (0.38) CYP19A1GBA1FOLH1DPP4SLC6A2
SCHEMBL724736 0.91
SCHEMBL255015 0.82
SCHEMBL3302887 0.79 TBXAS1 (0.46) CYP19A1
SCHEMBL243704 0.79 TBXAS1 (0.46) CYP19A1
SCHEMBL245885 0.79 TBXAS1 (0.46) CYP19A1
SCHEMBL7294285 0.79 DPP4 (0.40) CYP19A1FOLH1DPP4SLC6A2SLC6A4
SCHEMBL725806 0.79 CYP19A1 (0.41) CYP19A1FOLH1DPP4SLC6A2SLC6A4
SCHEMBL11204798 0.79 TBXAS1 (0.46) CYP19A1
SCHEMBL20204363 0.79 TBXAS1 (0.46) CYP19A1

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 2 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

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 CYP19A1 289/4885GBA1 1781/4885FOLH1 4654/4885

“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.