SCHEMBL12201729

SCHEMBL12201729

CCC(C)COCCCN

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
HTT P42858 1/20 0.38
ODC1 P11926 1/20 0.35
HSD17B10 Q99714 1/20 0.33
PLA2G2D Q9UNK4 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
USP2 O75604 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
TLR2 O60603 4/20 0.31
LPAR6 P43657 3/20 0.30
LPAR1 Q92633 3/20 0.30
LPAR4 Q99677 3/20 0.30
LPAR5 Q9H1C0 3/20 0.30
LPAR2 Q9HBW0 3/20 0.30
LPAR3 Q9UBY5 3/20 0.30

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
SCHEMBL1277076 0.88 CYP3A4 (0.53) CYP3A4HTTODC1TLR2
SCHEMBL13193551 0.86
SCHEMBL17126850 0.83 USP2 (0.43) CYP3A4HTTHSD17B10SPHK1USP2
SCHEMBL29330302 0.82 CYP3A4 (0.37) CYP3A4HTTHSD17B10
Dimethylamine SCHEMBL8733503 0.82 CYP3A4 (0.46) CYP3A4HTTODC1TLR2
SCHEMBL12587449 0.81 CYP3A4 (0.44) CYP3A4HTTHSD17B10SPHK1USP2
SCHEMBL2625072 0.81 CYP3A4 (0.44) CYP3A4HTTHSD17B10SPHK1USP2
SCHEMBL14952421 0.81 CYP3A4 (0.44) CYP3A4HTTHSD17B10SPHK1USP2
SCHEMBL29213133 0.80 CYP3A4 (0.48) CYP3A4ODC1
SCHEMBL13225083 0.80 ADRB2 (0.42) CYP3A4HTTODC1HSD17B10SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209589-A1 NOVEL CONJUGATION REAGENTS ABZENA (CAMBRIDGE) LIMITED (GB) 2017-07-27 US disclosed
US-9650331-B2 Conjugation reagents POLYTHERICS LIMITED (GB) 2017-05-16 US disclosed
US-8034981-B2 Modified bio-related substance, process for producing the same, and intermediate NOF CORPORATION (JP) 2011-10-11 US disclosed
US-20110082277-A1 MODIFIED BIO-RELATED SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATE NOF CORPORATION (JP) 2011-04-07 US 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-20170209589-A1 NOVEL CONJUGATION REAGENTS QPCTL, QPCT, LANCL1 CYP3A4 3007/4885HTT 3320/4885ODC1 1265/4885

“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.