SCHEMBL16154898

SCHEMBL16154898

C=C1NC(=O)C(C)=CN1[C@@H]1CC(OP(=O)(O)O/C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C/OP(=O)(O)O[C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)[C@H](CO)O1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 5/20 0.47
▸ RNASE1 P07998 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ALB P02768 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL16158115 0.81 TK1 (0.36) TK1RNASE1LMNATSHRALB
SCHEMBL19223593 0.78 TK1 (0.63) TK1RNASE1LMNATSHRALB
SCHEMBL19223589 0.78 TK1 (0.63) TK1RNASE1LMNATSHRALB
SCHEMBL19146444 0.78 TK1 (0.63) TK1RNASE1LMNATSHRALB
SCHEMBL887983 0.78 TK1 (0.67) TK1RNASE1LMNATSHRALB
SCHEMBL14546727 0.78 TK1 (0.67) TK1RNASE1LMNATSHRALB
SCHEMBL2230026 0.78 TK1 (0.67) TK1RNASE1LMNATSHRALB
SCHEMBL8428685 0.78 TK1 (0.67) TK1RNASE1LMNATSHRALB
SCHEMBL13753602 0.77 TK1 (0.64) TK1RNASE1LMNATSHRALB
SCHEMBL19486372 0.77 TK1 (0.62) TK1RNASE1LMNATSHRALB

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-9217124-B2 Washing or cleaning agent comprising a hydrogel former HENKEL AG & CO. KGAA (DE) 2015-12-22 — — US disclosed
US-20140303063-A1 WASHING OR CLEANING AGENT COMPRISING A HYDROGEL FORMER HENKEL AG & CO. KGAA (DE) 2014-10-09 — — 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-20140303063-A1 WASHING OR CLEANING AGENT COMPRISING A HYDROGEL FORMER GPKOW, CD44, CUTA TK1 2003/4885RNASE1 4281/4885LMNA 4709/4885

“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.

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