SCHEMBL21795341

SCHEMBL21795341

CCOCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.83
▸ LMNA P02545 5/20 0.83
▸ HIF1A Q16665 4/20 0.83
▸ PGR P06401 4/20 0.83
▸ AR P10275 2/20 0.83
▸ ALDH1A1 P00352 1/20 0.83
▸ MEN1 O00255 1/20 0.83
▸ KMT2A Q03164 1/20 0.83
▸ CYP3A4 P08684 2/20 0.81
▸ MAPT P10636 1/20 0.81
▸ HSD17B10 Q99714 1/20 0.81
▸ TDP1 Q9NUW8 1/20 0.81
▸ KDM4E B2RXH2 1/20 0.81
▸ MAPK1 P28482 1/20 0.81
▸ NR1I2 O75469 1/20 0.60
▸ ESR1 P03372 1/20 0.59

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
SCHEMBL16656251 0.92 NR3C1 (0.85) NR3C1LMNAHIF1APGRAR
SCHEMBL13181632 0.92 NR3C1 (0.85) NR3C1LMNAHIF1APGRAR
SCHEMBL13596225 0.92 NR3C1 (0.85) NR3C1LMNAHIF1APGRAR
SCHEMBL11871152 0.91 NR3C1 (0.76) NR3C1LMNAHIF1APGRAR
Procinonide SCHEMBL8410 0.91 NR3C1 (0.86) NR3C1LMNAHIF1APGRAR
Fluocinonide SCHEMBL4262 0.91 HIF1A (1.00) NR3C1LMNAHIF1APGRAR
Fluocinonide SCHEMBL13568069 0.91 HIF1A (1.00) NR3C1LMNAHIF1APGRAR
Fluocinonide SCHEMBL9338347 0.91 HIF1A (1.00) NR3C1LMNAHIF1APGRAR
SCHEMBL1979927 0.91 NR3C1 (0.88) NR3C1LMNAHIF1APGRAR
Fluocinonide SCHEMBL2800723 0.91 HIF1A (1.00) NR3C1LMNAHIF1APGRAR

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-11691950-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
US-11059789-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-20200071275-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF ALCON INC. (CH) 2020-03-05 — — 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 (3 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-20200071275-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF GRK1, TNK2, CYP11B2 NR3C1 173/4885LMNA 1670/4885HIF1A 3238/4885
US-11059789-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 NR3C1 173/4885LMNA 1670/4885HIF1A 3238/4885
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 NR3C1 173/4885LMNA 1670/4885HIF1A 3238/4885

“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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