SCHEMBL19961198

SCHEMBL19961198

CCOOCC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCC4(C)[C@H]3C(=O)CC12C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 3/20 0.76
▸ FNTB P49356 3/20 0.76
▸ SERPINA6 P08185 3/20 0.72
▸ LMNA P02545 7/20 0.58
▸ SMN1; SMN2 Q16637 7/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ CYP3A4 P08684 5/20 0.58
▸ MAPT P10636 5/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ NR3C1 P04150 3/20 0.55
▸ NR1I2 O75469 2/20 0.55
▸ PGR P06401 2/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ ABCB11 O95342 2/20 0.55
▸ SHBG P04278 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ PSEN1 P49768 1/20 0.55
▸ PSEN2 P49810 1/20 0.55
▸ APH1B Q8WW43 1/20 0.55

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
SCHEMBL8751542 0.91 FNTA (0.81) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL7989375 0.88 FNTA (0.83) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL13026136 0.86 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL141610 0.86 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL14382323 0.86 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL141611 0.86 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL20239320 0.86 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL9073248 0.85 SERPINA6 (0.79) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL15904593 0.84 SERPINA6 (1.00) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL668966 0.84 SERPINA6 (1.00) FNTAFNTBSERPINA6LMNASMN1; SMN2

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-20180071390-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2018-03-15 — — 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-20180071390-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES DSG1, DEGS1, PLA2G2E FNTA 124/4885FNTB 2169/4885SERPINA6 1891/4885

“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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