SCHEMBL3999013

SCHEMBL3999013

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC(OC(=O)OC5CC(=O)C=C6CC[C@@H]7[C@H]([C@@H](O)C[C@@]8(C)[C@H]7CC[C@]8(O)C(=O)CO)[C@]65C)[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 13/20 0.67
▸ HSD17B10 Q99714 6/20 0.67
▸ CYP2C19 P33261 4/20 0.67
▸ NR3C1 P04150 4/20 0.67
▸ SERPINA6 P08185 4/20 0.67
▸ PGR P06401 4/20 0.67
▸ CYP3A4 P08684 4/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ NR3C2 P08235 3/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ SHBG P04278 2/20 0.67
▸ NFKB1 P19838 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ AR P10275 2/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ TNF P01375 1/20 0.61
▸ IL6 P05231 1/20 0.61
▸ GLUL P15104 1/20 0.61
▸ ADAM17 P78536 1/20 0.61
▸ GPBAR1 Q8TDU6 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
SCHEMBL28809123 0.94 HIF1A (0.66) HIF1AHSD17B10CYP2C19NR3C1SERPINA6
SCHEMBL138847 0.94 HIF1A (0.66) HIF1AHSD17B10CYP2C19NR3C1SERPINA6
SCHEMBL20553193 0.93 HIF1A (0.65) HIF1AHSD17B10CYP2C19NR3C1SERPINA6
SCHEMBL6001323 0.93 HIF1A (0.65) HIF1AHSD17B10CYP2C19NR3C1SERPINA6
SCHEMBL28715728 0.93 HIF1A (0.69) HIF1AHSD17B10CYP2C19NR3C1SERPINA6
SCHEMBL249836 0.92 HIF1A (0.64) HIF1AHSD17B10CYP2C19NR3C1SERPINA6
SCHEMBL28553943 0.92 HIF1A (0.64) HIF1AHSD17B10CYP2C19NR3C1SERPINA6
SCHEMBL14931695 0.92 HIF1A (0.64) HIF1AHSD17B10CYP2C19NR3C1SERPINA6
SCHEMBL28690820 0.92 HIF1A (0.64) HIF1AHSD17B10CYP2C19NR3C1SERPINA6
SCHEMBL29089932 0.92 HIF1A (0.64) HIF1AHSD17B10CYP2C19NR3C1SERPINA6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113559105-A Treatment of resistant acne 维奥姆治疗有限公司 2021-10-29 — — CN disclosed
CN-106163526-B Treatment of resistant acne 维奥姆治疗有限公司 2021-07-23 — — CN disclosed
EP-1379197-A4 DELIVERY OF DRUGS FROM SUSTAINED RELEASE DEVICES IMPLANTED IN MYOCARDIAL TISSUE OR IN THE PERICARDIAL SPACE DURECT CORP (US) 2009-06-03 — — EP disclosed
US-20080095824-A1 Delivery of drugs from sustained release devices implanted in myocardial tissue or in the pericardial space DURECT CORPORATION 2008-04-24 — — US disclosed
EP-1379197-A1 DELIVERY OF DRUGS FROM SUSTAINED RELEASE DEVICES IMPLANTED IN MYOCARDIAL TISSUE OR IN THE PERICARDIAL SPACE Durect Corporation (US) 2004-01-14 — — EP disclosed
US-20030009145-A1 Delivery of drugs from sustained release devices implanted in myocardial tissue or in the pericardial space DURECT CORPORATION 2003-01-09 — — US disclosed
WO-2002076344-A1 DELIVERY OF DRUGS FROM SUSTAINED RELEASE DEVICES IMPLANTED IN MYOCARDIAL TISSUE OR IN THE PERICARDIAL SPACE DURECT CORPORATION (US) 2002-10-03 — — 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-20080095824-A1 Delivery of drugs from sustained release devices implanted in myocardial tissue or in the pericardial space TNNT2, TNNC1, TNNI3 HIF1A 857/4885HSD17B10 1283/4885CYP2C19 554/4885

“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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