SCHEMBL18090282

SCHEMBL18090282

C#CCCOCC(COCCCNC(=O)CCN1C(=O)C=CC1=O)OCCC#C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
TLR2 O60603 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MGLL Q99685 1/20 0.31
PTGS1 P23219 4/20 0.30
PTGS2 P35354 4/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 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
SCHEMBL15887137 0.84 POLB (0.39) POLBHSD17B10CYP3A4CYP2C19TSHR
SCHEMBL17930116 0.83 HPGD (0.41) POLBHSD17B10CYP3A4CYP2C19TSHR
SCHEMBL12660032 0.83 HPGD (0.41) POLBHSD17B10CYP3A4CYP2C19TSHR
SCHEMBL13623807 0.82 SMN1; SMN2 (0.42) POLBHSD17B10CYP3A4CYP2C19TSHR
SCHEMBL26031804 0.80 ALDH1A1 (0.39) POLBHSD17B10CYP3A4CYP2C19TSHR
SCHEMBL17486903 0.78 MGLL (0.51) POLBHSD17B10CYP3A4CYP2C19TSHR
SCHEMBL12284024 0.78 MGLL (0.51) POLBHSD17B10CYP3A4CYP2C19TSHR
SCHEMBL18090280 0.77 POLB (0.35) POLBHSD17B10CYP3A4CYP2C19TSHR
SCHEMBL18090281 0.77 MGLL (0.34) POLBHSD17B10CYP2C19TSHRSMN1; SMN2
SCHEMBL18090275 0.77 MGLL (0.34) POLBHSD17B10CYP2C19TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160271267-A1 ALKYNYL MULTI-ARM POLYETHYLENE GLYCOL DERIVATIVE JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2016-09-22 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-20160271267-A1 ALKYNYL MULTI-ARM POLYETHYLENE GLYCOL DERIVATIVE F12, IGLV6-57, F11 POLB 1448/4885HSD17B10 419/4885CYP3A4 96/4885

“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.