SCHEMBL19682238

SCHEMBL19682238

CCCCOC[C@H]1O[C@@H](OCC(OCCCC)C(OCCCC)C(COP(=O)(O)OC2[C@@H](COCCCC)O[C@@H](OCCN=[N+]=[N-])[C@H]2OCCCC)OCCCC)[C@@H](OCCCC)C1O[PH](=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.32
▸ PLCG2 P16885 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ AKT2 P31751 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ AKT3 Q9Y243 1/20 0.32
▸ GAB1 Q13480 1/20 0.32
▸ MAPK14 Q16539 2/20 0.31

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
SCHEMBL19682246 1.00 AKT1 (0.32) AKT1PLCG2PIK3R1AKT2PIK3CA
SCHEMBL19682243 0.84 CD209 (0.36) —
SCHEMBL19682267 0.81 GJB2 (0.37) —
SCHEMBL19682251 0.81 PTPN1 (0.35) —
SCHEMBL19682265 0.80 GJB2 (0.35) —
SCHEMBL19682264 0.75 SSTR1 (0.42) —
SCHEMBL19682305 0.73 GJB2 (0.36) —
SCHEMBL19682240 0.72 CD209 (0.48) —
SCHEMBL21258947 0.70 PTPN1 (0.31) —
SCHEMBL19400293 0.69 GJB2 (0.35) —

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-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY (US) 2017-12-07 — — 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-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A AKT1 827/4885PLCG2 492/4885PIK3R1 805/4885

“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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