SCHEMBL267768

SCHEMBL267768

C=CC1(O)CCC[C@@H]2C(C)(C)CCC[C@]21C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP19A1 P11511 2/20 0.35
UGT2B7 P16662 2/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
RECQL P46063 1/20 0.31
IDO1 P14902 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
SCHEMBL28020656 0.77
SCHEMBL6009568 0.76 HSP90AA1 (0.41) CYP3A4MAPTMEN1ALDH1A1KMT2A
SCHEMBL12522489 0.76 HSP90AA1 (0.41) CYP3A4MAPTMEN1ALDH1A1KMT2A
SCHEMBL280131 0.76 HSP90AA1 (0.41) CYP3A4MAPTMEN1ALDH1A1KMT2A
SCHEMBL267258 0.69 CYP3A4 (0.36) CYP3A4MAPTMEN1ALDH1A1KMT2A
SCHEMBL10799569 0.66 FDPS (0.33) CYP3A4MAPTMEN1ALDH1A1KMT2A
SCHEMBL10799566 0.66 FDPS (0.33) CYP3A4MAPTMEN1ALDH1A1KMT2A
SCHEMBL267483 0.64 ALDH1A1 (0.31) CYP3A4ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL15647555 0.63 ALDH1A1 (0.40) CYP3A4MAPTMEN1ALDH1A1KMT2A
SCHEMBL17379691 0.63 ALDH1A1 (0.30) CYP3A4ALDH1A1CYP2C9TSHRCYP2C19

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 CYP3A4 2799/4885MAPT 4689/4885MEN1 54/4885
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF CYP3A4 2799/4885MAPT 4689/4885MEN1 54/4885

“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.