SCHEMBL13653812

SCHEMBL13653812

CCC(=O)O[C@]1(C(=O)COC)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.62
▸ CYP3A4 P08684 4/20 0.62
▸ AR P10275 3/20 0.62
▸ F2 P00734 1/20 0.62
▸ NR3C1 P04150 7/20 0.62
▸ HIF1A Q16665 6/20 0.62
▸ ABCB11 O95342 3/20 0.62
▸ NR1I2 O75469 3/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ LMNA P02545 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CHRM1 P11229 1/20 0.52
▸ NR3C2 P08235 2/20 0.51
▸ ABCC3 O15438 1/20 0.46
▸ CNR1 P21554 1/20 0.44

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
SCHEMBL10900405 0.95 NR3C1 (0.63) PGRCYP3A4ARF2NR3C1
SCHEMBL10900414 0.95 NR3C1 (0.63) PGRCYP3A4ARF2NR3C1
SCHEMBL10906137 0.94 NR3C1 (0.63) PGRCYP3A4ARF2NR3C1
SCHEMBL10906135 0.94 NR3C1 (0.63) PGRCYP3A4ARF2NR3C1
SCHEMBL10910516 0.94 PGR (0.67) PGRCYP3A4ARF2NR3C1
SCHEMBL10910515 0.94 PGR (0.67) PGRCYP3A4ARF2NR3C1
SCHEMBL13524488 0.93 PGR (0.66) PGRCYP3A4ARF2NR3C1
SCHEMBL13985488 0.93 PGR (0.61) PGRCYP3A4ARF2NR3C1
Methylprednisolone Aceponate SCHEMBL8612416 0.92 PGR (0.74) PGRCYP3A4ARF2NR3C1
Methylprednisolone Aceponate SCHEMBL8961317 0.92 PGR (0.74) PGRCYP3A4ARF2NR3C1

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG PGR 3296/4885CYP3A4 3919/4885AR 4355/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PGR 1197/4885CYP3A4 1894/4885AR 3594/4885

“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.

Send feedback