SCHEMBL23317299

SCHEMBL23317299

CCCCCCCCc1cscc1OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.38
PTGS2 P35354 5/20 0.38
HTR2A P28223 1/20 0.36
TSHR P16473 2/20 0.36
LIPG Q9Y5X9 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TYR P14679 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PPARG P37231 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
SCHEMBL9778076 0.93 TYR (0.32) ALOX5PTGS2TYRMAPTALDH1A1
SCHEMBL9642087 0.89 TSHR (0.39) ALOX5PTGS2HTR2ATSHRLIPG
SCHEMBL721811 0.89 ALOX5 (0.38) ALOX5PTGS2HTR2ATSHRMEN1
SCHEMBL9641248 0.86 MEN1 (0.37) ALOX5PTGS2TSHRMEN1KMT2A
SCHEMBL721971 0.84 ALOX5 (0.50) ALOX5PTGS2HTR2APPARA
SCHEMBL9444539 0.84 ALOX5 (0.50) ALOX5PTGS2HTR2APPARA
SCHEMBL19304408 0.84 ALOX5 (0.50) ALOX5PTGS2HTR2APPARA
SCHEMBL9640505 0.84 ALOX5 (0.50) ALOX5PTGS2HTR2APPARA
SCHEMBL9642052 0.81 CYP1A2 (0.39) TSHRTYRCYP3A4MAPTHTT
SCHEMBL2745125 0.80 LIPG (0.45) ALOX5PTGS2HTR2ATSHRLIPG

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-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2021-05-06 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 (2 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-20210128589-A1 PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV5, TRPA1 ALOX5 265/4885PTGS2 283/4885HTR2A 3066/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 ALOX5 265/4885PTGS2 283/4885HTR2A 3066/4885

“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.