SCHEMBL22922951

SCHEMBL22922951

CCCCCCCCCCC[C@@H](OCCCCCCCCc1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
HTR2A P28223 1/20 0.44
SIGMAR1 Q99720 4/20 0.43
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
PPARG P37231 2/20 0.42
CSNK1E P49674 1/20 0.40

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
SCHEMBL25065427 1.00 KCNH2 (0.47) KCNH2HTR2ASIGMAR1PTGESALOX5
SCHEMBL7797335 0.85 CSNK1E (0.44) KCNH2HTR2APTGESALOX5PPARG
SCHEMBL9574239 0.81 KCNH2 (0.48) KCNH2HTR2ASIGMAR1PTGESALOX5
SCHEMBL25065345 0.81 DNM1 (0.45)
SCHEMBL27456433 0.79 SIGMAR1 (0.47) KCNH2HTR2ASIGMAR1
SCHEMBL3033446 0.79 KCNH2 (0.44) KCNH2HTR2ASIGMAR1CSNK1E
SCHEMBL25065426 0.78 FAAH (0.49)
SCHEMBL22922952 0.78 FAAH (0.49)
SCHEMBL2670017 0.76 KCNH2 (0.59) KCNH2HTR2ASIGMAR1
SCHEMBL469641 0.76 KCNH2 (0.59) KCNH2HTR2ASIGMAR1

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-20210023106-A1 TOLL-LIKE RECEPTOR LIGANDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 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 (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-20210023106-A1 TOLL-LIKE RECEPTOR LIGANDS TLR1, TLR4, TLR6 KCNH2 4281/4885HTR2A 1835/4885SIGMAR1 163/4885

“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.