SCHEMBL13653198

SCHEMBL13653198

C=C1C=C[C@@]2(C)C(=C1)C[C@@H](Cl)[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@@H](C)[C@]2(OC(=O)CC)C(=O)COC(=O)CC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.86
▸ NR3C1 P04150 8/20 0.86
▸ USP2 O75604 7/20 0.86
▸ CYP3A4 P08684 7/20 0.86
▸ HIF1A Q16665 6/20 0.86
▸ LMNA P02545 5/20 0.86
▸ CNR1 P21554 3/20 0.86
▸ CYP2C9 P11712 3/20 0.86
▸ ALDH1A1 P00352 2/20 0.86
▸ KDM4E B2RXH2 1/20 0.86
▸ TDP1 Q9NUW8 1/20 0.86
▸ ADORA3 P0DMS8 3/20 0.50
▸ AR P10275 3/20 0.50
▸ CHRM1 P11229 2/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ NR1I2 O75469 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ CYP2D6 P10635 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
Alclometasone Dipropionate SCHEMBL13985345 0.92 PGR (1.00) PGRNR3C1USP2CYP3A4HIF1A
Alclometasone Dipropionate SCHEMBL29459697 0.92 PGR (1.00) PGRNR3C1USP2CYP3A4HIF1A
Alclometasone Dipropionate SCHEMBL13423590 0.92 PGR (1.00) PGRNR3C1USP2CYP3A4HIF1A
Alclometasone Dipropionate SCHEMBL11047317 0.92 PGR (1.00) PGRNR3C1USP2CYP3A4HIF1A
Alclometasone Dipropionate SCHEMBL6833 0.92 PGR (1.00) PGRNR3C1USP2CYP3A4HIF1A
SCHEMBL13524392 0.90 PGR (0.84) PGRNR3C1USP2CYP3A4HIF1A
SCHEMBL13653208 0.90 PGR (0.83) PGRNR3C1USP2CYP3A4HIF1A
SCHEMBL14019757 0.90 PGR (0.83) PGRNR3C1USP2CYP3A4HIF1A
SCHEMBL13985342 0.90 PGR (0.83) PGRNR3C1USP2CYP3A4HIF1A
SCHEMBL14339625 0.84 NR3C1 (0.85) PGRNR3C1USP2CYP3A4HIF1A

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 3296/4885NR3C1 1066/4885USP2 4008/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PGR 1197/4885NR3C1 310/4885USP2 4044/4885

“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.

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