SCHEMBL3755642

SCHEMBL3755642

CCCCCCCC(CCCC)SC(=S)SCC#N

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.32
DNM1 Q05193 2/20 0.31
FDPS P14324 4/20 0.30
GPR84 Q9NQS5 3/20 0.30
SPHK1 Q9NYA1 1/20 0.30
FFAR1 O14842 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
SCHEMBL850353 0.84 SPHK1 (0.33) LMNATSHRFDPSGPR84SPHK1
SCHEMBL16594112 0.80 TSHR (0.34) LMNATSHRFDPSGPR84SPHK1
SCHEMBL851466 0.74 THRB (0.33) LMNATSHRCA2
SCHEMBL27030494 0.74 LMNA (0.32) LMNATSHR
SCHEMBL23600092 0.72 LMNA (0.39) LMNACA2DNM1FDPSGPR84
SCHEMBL28692993 0.72 SPHK1 (0.39) LMNACA2DNM1FDPSGPR84
SCHEMBL28954710 0.71 LMNA (0.32) LMNATSHRFDPSGPR84SPHK1
SCHEMBL30688673 0.71 LMNA (0.32) LMNATSHRFDPSGPR84SPHK1
SCHEMBL16594114 0.71 LMNA (0.32) LMNATSHRFDPSGPR84SPHK1
Ethylene Glycol SCHEMBL28428294 0.70 LMNA (0.35) LMNATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383744-B2 Actinically-crosslinkable siloxane-containing copolymers NOVARTIS AG (CH) 2013-02-26 US claimed
US-20100296049-A1 ACTINICALLY-CROSSLINKABLE SILOXANE-CONTAINING COPOLYMERS ALCON INC. (CH) 2010-11-25 US claimed
US-8383744-B2 Actinically-crosslinkable siloxane-containing copolymers NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20100296049-A1 ACTINICALLY-CROSSLINKABLE SILOXANE-CONTAINING COPOLYMERS ALCON INC. (CH) 2010-11-25 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-20100296049-A1 ACTINICALLY-CROSSLINKABLE SILOXANE-CONTAINING COPOLYMERS VCL, MACF1, CFL1 LMNA 1029/4885TSHR 3589/4885CA2 3267/4885

“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.