SCHEMBL4418989

SCHEMBL4418989

C=CCN(CC=C)CC=C.C=CCNCC=C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
TSHR P16473 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
SCHEMBL4306829 0.81 TDP1 (0.35) TDP1
SCHEMBL7549527 0.80 TSHR (0.43) OPRM1OPRD1OPRK1TSHR
SCHEMBL20656 0.80 TSHR (0.43) OPRM1OPRD1OPRK1TSHR
SCHEMBL22105 0.80
SCHEMBL14917540 0.78
SCHEMBL428797 0.78 KDM4E (0.37) TDP1TSHR
SCHEMBL10583240 0.78 PAOX (0.33) TDP1OPRM1OPRD1OPRK1
SCHEMBL9699428 0.78 TDP1 (0.33) TDP1OPRM1OPRD1OPRK1
SCHEMBL4314761 0.78 PAOX (0.33) TDP1
Methane SCHEMBL23927285 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521532-B Vinyl alcohol polymer and use thereof 株式会社可乐丽 2023-06-13 CN claimed
US-7638524-B2 For reducing serum cholesterol in a mammal GENZYME CORPORATION (US) 2009-12-29 US disclosed
US-20020155091-A1 Combination therapy for treating hypercholesterolemia GELTEX PHARMACEUTICALS, INC. 2002-10-24 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-20020155091-A1 Combination therapy for treating hypercholesterolemia PCSK9, SLC10A1, NR1H4 TDP1 3625/4885OPRM1 4177/4885OPRD1 3581/4885

“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.