SCHEMBL871871

SCHEMBL871871

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)CCC(=O)[O-])C(=O)CO.[Na+]

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 known ✓ P04150 8/20 0.65
▸ HIF1A Q16665 5/20 0.70
▸ LMNA P02545 2/20 0.70
▸ NR3C2 P08235 7/20 0.65
▸ PGR P06401 6/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ ABCB11 O95342 2/20 0.65
▸ TNF P01375 1/20 0.65
▸ IL6 P05231 1/20 0.65
▸ SERPINA6 P08185 1/20 0.65
▸ AR P10275 1/20 0.65
▸ GLUL P15104 1/20 0.65
▸ ADAM17 P78536 1/20 0.65
▸ GPBAR1 Q8TDU6 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ USP2 O75604 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ KMT2A Q03164 1/20 0.60

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
Succinic Acid SCHEMBL22042712 0.92 NR3C1 (0.67) HIF1ALMNANR3C1NR3C2PGR
SCHEMBL945986 0.92 NR3C1 (0.67) HIF1ALMNANR3C1NR3C2PGR
SCHEMBL11016342 0.91 NR3C2 (0.72) HIF1ALMNANR3C1NR3C2PGR
SCHEMBL6857093 0.91 NR3C2 (0.72) HIF1ALMNANR3C1NR3C2PGR
SCHEMBL6857090 0.91 NR3C2 (0.72) HIF1ALMNANR3C1NR3C2PGR
Prednival SCHEMBL25388 0.90 HIF1A (0.73) HIF1ALMNANR3C1NR3C2PGR
SCHEMBL1945625 0.90 NR3C1 (0.67) HIF1ALMNANR3C1NR3C2PGR
SCHEMBL1945621 0.90 NR3C1 (0.67) HIF1ALMNANR3C1NR3C2PGR
Prednival SCHEMBL2966209 0.90 HIF1A (0.73) HIF1ALMNANR3C1NR3C2PGR
Prednival SCHEMBL25387 0.90 HIF1A (0.73) HIF1ALMNANR3C1NR3C2PGR

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113660952-B Bispecific antibodies 小野药品工业株式会社 2024-06-11 — — CN disclosed
CN-111670203-B bispecific antibodies 小野药品工业株式会社 2023-11-14 — — CN disclosed
US-20230041980-A1 METHOD OF PROTECTING A RESPIRATORY TRACT OR A LUNG FROM DAMAGE, METHOD OF PROTECTING A LUNG FROM PRESSURE DAMAGE INDUCED BY A VENTILATOR, METHOD OF SUPPRESSING SPREAD OF INFECTION WITH VIRUSES OR BACTERIA THAT CAUSE PNEUMONIA IN PULMONARY BRONCHIAL EPITHELIAL CELLS OR ALVEOLAR EPITHELIAL CELLS, AND NASAL SPRAY NEXT21 KABUSHIKI KAISHA (JP) 2023-02-09 — — US disclosed
EP-4125927-A1 MEDICINE CONTAINING TREHALOSE OR TREHALOSE DERIVATIVE AND NASAL SPRAY Next21 Kabushiki Kaisha (JP) 2023-02-08 — — EP disclosed
US-20220142915-A1 Dental Local Anesthetic Solution SHOWAKAI MEDICAL CO. (JP) 2022-05-12 — — US disclosed
EP-3995132-A1 DENTAL LOCAL ANESTHETIC SOLUTION Showakai Medical Co. (JP) 2022-05-11 — — EP disclosed
WO-2021210648-A1 MEDICINE CONTAINING TREHALOSE OR TREHALOSE DERIVATIVE AND NASAL SPRAY NEXT21 KABUSHIKI KAISHA (JP) 2021-10-21 — — WO disclosed
WO-2021025140-A1 DUAL-SPECIFIC PROTEIN 小野薬品工業株式会社 2021-02-11 — — WO disclosed
WO-2021020416-A1 BISPECIFIC ANTIBODY 小野薬品工業株式会社 2021-02-04 — — WO disclosed
WO-2019177117-A1 DRUG FOR TREATING COUGH 日本ケミファ株式会社 2019-09-19 — — WO disclosed
EP-1550461-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-06 — — EP disclosed
US-20050020634-A1 Coumarin derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-01-27 — — US disclosed
EP-1495756-A1 SEVERE SEPSIS PREVENTIVE THERAPEUTIC AGENT Takeda Chemical Industries, Ltd. (JP) 2005-01-12 — — EP disclosed
EP-1471064-A1 COUMARIN DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-10-27 — — EP disclosed
US-20030232809-A1 Lipid-rich plaque inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-18 — — US disclosed
EP-1302470-A1 LIPID-RICH PLAQUE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-04-16 — — EP disclosed
EP-1197209-A1 PERCUTANEOUSLY ABSORBABLE PREPARATIONS HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2002-04-17 — — EP disclosed
EP-0953357-A1 NEPHROTROPIC DRUGS Drug Delivery System Institute, Ltd. (JP) 1999-11-03 — — EP disclosed
EP-0215313-A2 Emulsion compositions for the parenteral and/or oral administration of sparingly water soluble ionizable hydrophobic drugs AMERICAN CYANAMID COMPANY (US) 1987-03-25 — — EP disclosed
US-4440764-A ANTISHOCK, ANTIALLERGEN IMMUNOSUPPRESSIVE AND INTRA-ARTICULAR THERAPY GRUPPO LEPETIT S.P.A. (IT) 1984-04-03 — — 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-20050020634-A1 Coumarin derivatives, process for their production and use thereof CBR1, ACAT2, CBR3 NR3C1 3476/4885HIF1A 560/4885LMNA 1063/4885
US-20030232809-A1 Lipid-rich plaque inhibitors LDLR, NR1H2, NR1H3 NR3C1 43/4885HIF1A 622/4885LMNA 1016/4885

“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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