SCHEMBL13407212

SCHEMBL13407212

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)OCC(NC(=O)CCCCCON(O)O)C(=O)OCCCCON(O)O)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 7/20 0.59
▸ LMNA P02545 6/20 0.59
▸ CYP3A4 P08684 5/20 0.59
▸ NR3C1 P04150 4/20 0.59
▸ PGR P06401 4/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ CNR1 P21554 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ USP2 O75604 1/20 0.59
▸ NR1I2 O75469 1/20 0.58
▸ TNF P01375 2/20 0.51
▸ IKBKB O14920 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ PRKCA P17252 1/20 0.50
▸ PRKACA P17612 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ PRKCH P24723 1/20 0.50

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
SCHEMBL14135253 1.00 HIF1A (0.59) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL14135287 0.93 HIF1A (0.59) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13407289 0.93 HIF1A (0.59) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13388936 0.92 LMNA (0.57) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13407112 0.91 HIF1A (0.57) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13407294 0.90 HIF1A (0.56) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13407211 0.90 NR3C1 (0.64) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13389070 0.90 LMNA (0.55) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13407299 0.90 HIF1A (0.60) HIF1ALMNACYP3A4NR3C1PGR
SCHEMBL13659905 0.90 HIF1A (0.70) HIF1ALMNACYP3A4NR3C1PGR

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-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. 2010-04-15 — — US disclosed
WO-2008095806-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2008-08-14 — — 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-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 HIF1A 544/4885LMNA 2531/4885CYP3A4 230/4885

“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