SCHEMBL13524485

SCHEMBL13524485

COCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=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 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.83
▸ HIF1A Q16665 6/20 0.83
▸ CYP3A4 P08684 6/20 0.83
▸ NR3C1 P04150 6/20 0.83
▸ PGR P06401 5/20 0.83
▸ NR1I2 O75469 1/20 0.83
▸ NPSR1 Q6W5P4 2/20 0.74
▸ MAPT P10636 2/20 0.74
▸ USP2 O75604 2/20 0.74
▸ CNR1 P21554 1/20 0.74
▸ KCNH2 Q12809 1/20 0.74
▸ AR P10275 3/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ MAPK1 P28482 1/20 0.61

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
SCHEMBL14114135 1.00 LMNA (0.83) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL124165 0.92 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL28971361 0.92 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL15975096 0.92 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL11422147 0.92 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL13985471 0.92 LMNA (0.81) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL1973547 0.92 HIF1A (0.81) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL14884636 0.92 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL13181589 0.91 LMNA (0.80) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL13595537 0.91 LMNA (0.80) LMNAHIF1ACYP3A4NR3C1PGR

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 9 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
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 — — US disclosed
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
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — 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 (6 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 LMNA 4759/4885HIF1A 3718/4885CYP3A4 3919/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES LMNA 2591/4885HIF1A 1199/4885CYP3A4 1894/4885
US-20200071275-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF GRK1, TNK2, CYP11B2 LMNA 1670/4885HIF1A 3238/4885CYP3A4 3148/4885
US-11059789-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 LMNA 1670/4885HIF1A 3238/4885CYP3A4 3148/4885
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 LMNA 1497/4885HIF1A 3625/4885CYP3A4 862/4885
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 LMNA 1670/4885HIF1A 3238/4885CYP3A4 3148/4885

“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