SCHEMBL3733661

SCHEMBL3733661

O=C(NCCCl)NC1CC2CCCC2c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
EPHX2 P34913 6/20 0.43
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 5/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DHODH Q02127 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPIA P62937 2/20 0.33
HPGD P15428 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL12437187 0.78 HTT (0.45) HTTEPHX2ALDH1A1EPHX1NPC1
SCHEMBL3735037 0.73 HTT (0.77) HTTEPHX2ALDH1A1EPHX1DHODH
SCHEMBL3731433 0.73 EPHX2 (0.69) HTTEPHX2ALDH1A1EPHX1DHODH
SCHEMBL3735803 0.71 NPC1 (0.53) HTTEPHX2NPC1
SCHEMBL10699741 0.70 PTGDR2 (0.42) HTTALDH1A1PPIAHPGD
SCHEMBL3738300 0.68 HTT (0.39) HTTEPHX2ALDH1A1EPHX1TSHR
SCHEMBL10407023 0.68 PTGDR2 (0.36) HTTEPHX2ALDH1A1HPGDTAS1R3
SCHEMBL8670897 0.67 PPIA (0.58) TSHRPPIA
SCHEMBL6369376 0.67 EPHX2 (0.46) HTTEPHX2ALDH1A1DHODHPPIA
SCHEMBL13984230 0.67 TRPV1 (0.51) HTTEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US claimed
EP-2048951-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-22 EP claimed
WO-2008017816-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 WO claimed
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2048951-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-22 EP disclosed
WO-2008017816-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 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-20100280085-A1 CHEMICAL COMPOUNDS ACHE, TYR, COX6B1 HTT 2263/4885EPHX2 585/4885ALDH1A1 131/4885

“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.