SCHEMBL25018142

SCHEMBL25018142

CC(C)S(C)(CCCC#N)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL19484847 0.76 NLRP3 (0.48) NLRP3TSHRALDH1A1TDP1
SCHEMBL19256216 0.76
SCHEMBL19485103 0.73 TSHR (0.40) NLRP3TSHRALDH1A1TDP1
SCHEMBL19418935 0.73 TSHR (0.40) NLRP3TSHRALDH1A1TDP1
SCHEMBL18950544 0.72
SCHEMBL18950486 0.72
SCHEMBL14325274 0.72
SCHEMBL19256218 0.72
SCHEMBL25761262 0.70 TSHR (0.54) NLRP3TSHR
SCHEMBL26000881 0.69 APP (0.36) TSHRALDH1A1

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-11577179-B2 Chromatographic columns and separation devices comprising a superficially porous material; and use thereof for supercritical fluid chromatography and other chromatography WATERS TECHNOLOGIES CORPORATION (US) 2023-02-14 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-11577179-B2 Chromatographic columns and separation devices comprising a superficially porous material; and use thereof for supercritical fluid chromatography and other chromatography SEPTIN9, PORCN, SPECC1L NLRP3 2204/4885TSHR 4592/4885ALDH1A1 3766/4885

“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.