SCHEMBL10174353

SCHEMBL10174353

CCCCC1CC(=O)CCN1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
TLR4 O00206 1/20 0.34
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 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
SCHEMBL9965482 1.00 ELANE (0.39) ELANETLR4OPRK1MEN1TSHR
SCHEMBL3635011 0.88 OPRK1 (0.33) ELANETLR4OPRK1HTTPOLB
SCHEMBL17788020 0.83 OPRK1 (0.35) OPRK1MEN1TSHRHTTKMT2A
SCHEMBL9965481 0.81 ATM (0.45) ELANEMEN1KMT2A
SCHEMBL5137199 0.81 SMN1; SMN2 (0.40) MEN1TSHRKMT2APOLB
SCHEMBL642245 0.81 ATM (0.45) ELANEMEN1KMT2A
SCHEMBL17317470 0.78 OPRK1 (0.34) OPRK1
Benzene SCHEMBL27759722 0.76 ALDH1A1 (0.45) MEN1TSHRHTTKMT2APOLB
SCHEMBL19097297 0.72 ATM (0.52) MEN1KMT2A
SCHEMBL10174355 0.71 SMN1; SMN2 (0.37) POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 ELANE 4457/4885TLR4 1931/4885OPRK1 56/4885

“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.