SCHEMBL16606704

SCHEMBL16606704

C=C1C[C@@H](OC(=O)c2ccccc2)C2[C@](C)(OC=O)CCC[C@]2(C)[C@@H]1CCC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TRPC6 Q9Y210 4/20 0.41
▸ TRPC3 Q13507 1/20 0.40
▸ TTL Q8NG68 3/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ TAS2R31 P59538 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ POLB P06746 1/20 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
SCHEMBL14552920 1.00 TP53 (0.43) TP53CYP3A4MAPK1MEN1LMNA
SCHEMBL14552895 0.91 TP53 (0.40) TP53CYP3A4MAPK1MEN1LMNA
SCHEMBL16606703 0.91 TP53 (0.40) TP53CYP3A4MAPK1MEN1LMNA
Scoparic Acid B SCHEMBL14554122 0.86 MAPT (0.43) TP53CYP3A4MAPK1MEN1LMNA
Scoparic Acid B SCHEMBL30621452 0.86 MAPT (0.43) TP53CYP3A4MAPK1MEN1LMNA
Scoparic Acid C SCHEMBL30621454 0.80 MAPT (0.41) TP53CYP3A4MAPK1MEN1LMNA
Scoparic Acid C SCHEMBL16610413 0.80 MAPT (0.41) TP53CYP3A4MAPK1MEN1LMNA
SCHEMBL31051333 0.79 TTL (0.43) TP53CYP3A4MAPK1MEN1LMNA
Scoparic Acid A SCHEMBL31051329 0.78 MAPT (0.42) TP53CYP3A4MAPK1MEN1LMNA
Scopadiol SCHEMBL16610408 0.78 TTL (0.44) TP53CYP3A4MAPK1MEN1LMNA

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-20150093371-A1 ANTIVIRAL COMPOSITIONS AND METHODS OF THEIR USE Humanitas Technology, LLC (US) 2015-04-02 — — 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-20150093371-A1 ANTIVIRAL COMPOSITIONS AND METHODS OF THEIR USE DDX5, MAVS, EIF2AK2 TP53 2391/4885CYP3A4 4301/4885MAPK1 4449/4885

“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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