SCHEMBL6009546

SCHEMBL6009546

C=C[C@@]1(C)CCC=C2C1CCC1[C@@]2(C)CCC[C@@]1(C)C=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NR1H3 Q13133 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTGS1 P23219 7/20 0.37
▸ CYP19A1 P11511 2/20 0.33

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
SCHEMBL267558 1.00 KARS1 (0.38) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL12522482 0.92 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL14112200 0.92 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL14260996 0.92 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL12522483 0.92 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL10219385 0.92 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL10219384 0.92 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL12887769 0.92 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL14286834 0.92 KARS1 (0.41) KARS1MEN1TP53CYP3A4MAPT
SCHEMBL280434 0.85 CYP19A1 (0.39) NR1H3PTPN1PTGS1CYP19A1

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-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2012-09-20 — — US disclosed
EP-1912932-B1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS INC (US) 2012-05-02 — — EP 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-20120238634-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF KARS1 3304/4885MEN1 54/4885TP53 873/4885

“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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