SCHEMBL7042776

SCHEMBL7042776

[O]CCCCCCn1cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TBXAS1 P24557 5/20 0.36
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
HTT P42858 5/20 0.33
LMNA P02545 3/20 0.33
GALR3 O60755 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
PAX8 Q06710 1/20 0.33
NR2F2 P24468 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
SCHEMBL5007952 0.97 TP53 (0.44) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL1140224 0.89
SCHEMBL27458343 0.86 TP53 (0.46) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL20465806 0.83 TP53 (0.48) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL536220 0.79 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL9169126 0.79 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL536691 0.79 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL1140354 0.77
SCHEMBL691481 0.76 TP53 (0.48) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL536585 0.76 TP53 (0.39) TP53TBXAS1NPC1RAB9AHTT

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 TP53 4658/4885TBXAS1 3009/4885NPC1 3001/4885

“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.