SCHEMBL22215909

SCHEMBL22215909

C=CCOc1c(Cc2cc(C)cc(C3(C)CCCCC3)c2OCC=C)cc(C)cc1C1(C)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL9844578 0.74 GLA (0.47) GLATSHRALOX12NPSR1MEN1
SCHEMBL14300600 0.74 GLA (0.60) GLATSHRALOX12NPSR1MEN1
SCHEMBL22215688 0.72 GLA (0.41) GLATSHRALOX12NPSR1MEN1
SCHEMBL22215912 0.72 PTGDR2 (0.38) PTGDR2
SCHEMBL39101 0.71 GLA (0.73) GLATSHRALOX12NPSR1MEN1
SCHEMBL29464977 0.71 GLA (0.73) GLATSHRALOX12NPSR1MEN1
SCHEMBL17546526 0.71 GLA (0.44) GLATSHRALOX12NPSR1MEN1
SCHEMBL14557190 0.69 GLA (0.70) GLATSHRALOX12NPSR1MEN1
SCHEMBL14219663 0.68 GLA (0.49) GLATSHRALOX12NPSR1MEN1
SCHEMBL2498796 0.67 GLA (0.48) GLATSHRALOX12NPSR1MEN1

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-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound SHIKOKU CHEMICALS CORPORATION (JP) 2023-10-03 US disclosed
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound SHIKOKU CHEMICALS CORPORATION (JP) 2023-10-03 US disclosed
WO-2020145111-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND 四国化成工業株式会社 2020-07-16 WO 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-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound TST, TMT1A, CTH GLA 4297/4885TSHR 3486/4885ALOX12 137/4885

“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.