SCHEMBL1018000

SCHEMBL1018000

C[CH]OCCCCC=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
ALOX15 P16050 4/20 0.32
SQLE Q14534 3/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
UGT1A1 P22309 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
SCHEMBL1016576 0.93 KMT2A (0.36) KMT2AALOX15SQLEMEN1CYP3A4
SCHEMBL1013291 0.83
SCHEMBL1017046 0.80
SCHEMBL7757970 0.79 KMT2A (0.36) KMT2AALOX15SQLEMEN1CYP3A4
SCHEMBL1014186 0.78
SCHEMBL1014214 0.78 KMT2A (0.32) KMT2AALOX15SQLEMEN1CYP3A4
SCHEMBL8078444 0.77 KMT2A (0.50) KMT2AALOX15SQLEMEN1CYP3A4
SCHEMBL18577618 0.77
SCHEMBL8952248 0.74 ALDH1A1 (0.41) KMT2AALDH1A1
SCHEMBL1017744 0.74 TSHR (0.37) KMT2AALOX15SQLEMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247595-B2 Organic sulfur compound and its use for controlling harmful arthropod SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2152668-B1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPODS SUMITOMO CHEMICAL CO (JP) 2011-01-12 EP disclosed
US-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2152668-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD Sumitomo Chemical Company, Limited (JP) 2010-02-17 EP disclosed
WO-2008143338-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-11-27 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-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD C5, L3MBTL3, C1S KMT2A 3629/4885ALOX15 1159/4885SQLE 1432/4885

“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.