SCHEMBL22920526

SCHEMBL22920526

CCC(C)C(CC)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ADRB2 P07550 2/20 0.37
PTGS2 P35354 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 2/20 0.33
HIF1A Q16665 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5933754 0.88 TSHR (0.32) TSHR
SCHEMBL23223575 0.81 ADRB2 (0.34) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL13741667 0.81 TDP1 (0.33) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL20711850 0.81 TDP1 (0.33) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL12703521 0.81 ADRB2 (0.34) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL24191867 0.79 ADRB2 (0.42) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL13791987 0.79 ADRB2 (0.42) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL7931177 0.78 CA1 (0.30)
SCHEMBL21654996 0.78 ALDH1A1 (0.37) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL20055670 0.78 ALDH1A1 (0.37) TDP1CYP3A4TSHRMAPK1ALDH1A1

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
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 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 (3 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 TDP1 1887/4885ADRB2 3615/4885PTGS2 1699/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 TDP1 1887/4885ADRB2 3615/4885PTGS2 1699/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 TDP1 1887/4885ADRB2 3615/4885PTGS2 1699/4885

“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.