SCHEMBL12378908

SCHEMBL12378908

COC(=O)C(C)(C)C(c1ccccc1)c1ccc2cncn2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.63
CYP26A1 O43174 9/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
MAPK1 P28482 1/20 0.41
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TBXAS1 P24557 1/20 0.37
ESR1 P03372 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
SCHEMBL2363089 0.80 NR3C1 (0.46) NR3C1CYP26A1CYP1A2CYP3A4CYP2D6
SCHEMBL12417576 0.78 NR3C1 (0.53) NR3C1NAMPTALDH1A1TDP1TBXAS1
SCHEMBL14826292 0.78 KCNN4 (0.50) NR3C1CYP26A1CYP1A2CYP3A4CYP2D6
SCHEMBL12378880 0.78 NR3C1 (1.00) NR3C1
SCHEMBL12378918 0.78 NR3C1 (0.74) NR3C1
SCHEMBL28672348 0.76 CYP26A1 (0.44) NR3C1CYP26A1CYP1A2CYP3A4CYP2D6
SCHEMBL1363885 0.73 KMT2A (0.46) NR3C1CYP26A1CYP1A2CYP3A4CYP2D6
SCHEMBL2363471 0.73 NR3C1 (0.68) NR3C1CYP26A1
SCHEMBL754412 0.72 NR3C1 (0.43) NR3C1CYP26A1CYP1A2CYP3A4CYP2D6
SCHEMBL2901478 0.70 POLB (0.57) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9

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-7994190-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-07-29 US disclosed
WO-2008057855-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I, AND/OR NP-KAPPA-B ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO 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-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NR0B1, NR3C1, NFRKB NR3C1 2/4885CYP26A1 1326/4885CYP1A2 1420/4885

“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.