SCHEMBL267750

SCHEMBL267750

COc1ccc2c(c1)[C@@]1(C)CCC[C@@H](C)[C@@H]1CC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 4/20 0.60
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B1 P14061 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.43
HSD11B1 P28845 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41

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
SCHEMBL19786280 0.82 CYP3A4 (0.61) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL31481786 0.81 GRIN2D (0.46) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL26172615 0.81 NR1H2 (0.52) POLA1NR1H2NR1H3
SCHEMBL31481794 0.81 NR1H2 (0.52) POLA1NR1H2NR1H3
SCHEMBL19786276 0.80 POLA1 (0.57) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30991337 0.80 NR1H2 (0.47) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14493963 0.79 CYP3A4 (0.60) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL26237102 0.79 SRD5A1 (0.46) LMNANR1H2NR1H3
SCHEMBL10066628 0.78 CYP3A4 (0.66) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19786284 0.77 POLA1 (0.53) POLA1CYP3A4CYP2C9TSHRCYP2C19

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 POLA1 4404/4885CYP3A4 2799/4885CYP2C9 2777/4885
US-20110160309-A1 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-ALPHA MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS IL1A, IL1B, TNF POLA1 4404/4885CYP3A4 2799/4885CYP2C9 2777/4885

“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.