SCHEMBL266913

SCHEMBL266913

CC1(C)CCC[C@@]2(C)C(=O)CCC[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.44
ALOX5 P09917 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP3A4 P08684 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CETP P11597 1/20 0.36

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
SCHEMBL3146912 1.00 CYP19A1 (0.44) CYP19A1ALOX5ALOX15ALOX12CYP3A4
SCHEMBL21917264 0.90 CYP19A1 (0.49) CYP19A1ALOX5ALOX15ALOX12CYP3A4
SCHEMBL14880005 0.90 CYP19A1 (0.49) CYP19A1ALOX5ALOX15ALOX12CYP3A4
SCHEMBL279978 0.74 SOD1 (0.54) ALOX15CYP3A4USP2TP53HSP90AA1
SCHEMBL280128 0.74 SOD1 (0.54) ALOX15CYP3A4USP2TP53HSP90AA1
SCHEMBL3146702 0.72 PIK3CA (0.42) CYP19A1ALOX5ALOX15ALOX12CYP3A4
SCHEMBL11800559 0.69 CYP19A1 (0.46) CYP19A1MEN1MAPTKMT2ATSHR
SCHEMBL25435184 0.69 CYP19A1 (0.48) CYP19A1ALOX5ALOX15ALOX12CYP3A4
SCHEMBL25436089 0.69 CYP19A1 (0.48) CYP19A1ALOX5ALOX15ALOX12CYP3A4
SCHEMBL25432736 0.69 CYP19A1 (0.48) CYP19A1ALOX5ALOX15ALOX12CYP3A4

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 3 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
US-8133915-B2 Interleukin-1 and tumor necrosis factor-α modulators; syntheses of such modulators and methods of using such modulators NEREUS PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2011-06-30 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 (2 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 CYP19A1 832/4885ALOX5 154/4885ALOX15 96/4885
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF CYP19A1 832/4885ALOX5 154/4885ALOX15 96/4885

“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.