SCHEMBL1761123

SCHEMBL1761123

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(OP(=O)([O-])[O-])C(=O)CO.[Na+].[Na+]

nearest known ligand 0.72

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 7/20 0.60
▸ PDE4D known ✓ Q08499 1/20 0.52
▸ ADORA3 known ✓ P0DMS8 1/20 0.48
▸ PGR P06401 9/20 0.72
▸ AR P10275 6/20 0.72
▸ ABCB11 O95342 5/20 0.62
▸ CYP3A4 P08684 7/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ADRA1A P35348 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HTR1A P08908 1/20 0.60
▸ ADRA2A P08913 1/20 0.60
▸ HIF1A Q16665 8/20 0.52
▸ NR1I2 O75469 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ CHRM1 P11229 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48

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
SCHEMBL11880720 0.88 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11127169 0.88 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11262672 0.88 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11070636 0.88 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11880726 0.88 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11127170 0.88 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11127550 0.88 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11236326 0.87 PGR (0.72) PGRARABCB11CYP3A4NR3C1
SCHEMBL11236322 0.87 PGR (0.72) PGRARABCB11CYP3A4NR3C1
SCHEMBL11126579 0.87 PGR (0.72) PGRARABCB11CYP3A4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744683-B1 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF PARATHYROID HORMONE AGENTS ALZA CORP (US) 2016-03-16 — — EP claimed
US-8361022-B2 Apparatus for transdermal delivery of parathyroid hormone agents ALZA CORPORATION (US) 2013-01-29 — — US claimed
US-20100152649-A1 Apparatus and method for transdermal delivery of parathyroid hormone agents ALZA CORPORATION (US) 2010-06-17 — — US claimed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 — — US claimed
EP-1706176-A4 FREQUENCY ASSISTED TRANSDERMAL AGENT DELIVERY METHOD AND SYSTEM ALZA CORP (US) 2008-06-25 — — EP claimed
EP-1686904-A4 ULTRASOUND ASSISTED TRANSDERMAL VACCINE DELIVERY METHOD AND SYSTEM ALZA CORP (US) 2008-02-27 — — EP claimed
EP-1680178-A4 SYSTEM AND METHOD FOR TRANSDERMAL VACCINE DELIVERY ALZA CORP (US) 2008-01-02 — — EP claimed
EP-1744683-A2 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF PARATHYROID HORMONE AGENTS ALZA Corporation (US) 2007-01-24 — — EP claimed
EP-1737434-A2 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF FENTANYL-BASED AGENTS ALZA CORPORATION (US) 2007-01-03 — — EP claimed
EP-1735469-A2 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF MULTIPLE VACCINES ALZA Corporation (US) 2006-12-27 — — EP claimed
US-20050049549-A1 Method and device for enhancing transdermal agent flux ALZA CORPORATION 2005-03-03 — — US claimed
WO-2005016440-A1 METHOD AND DEVICE FOR ENHANCING TRANSDERMAL AGENT FLUX ALZA CORPORATION (US) 2005-02-24 — — WO claimed
WO-2005016441-A1 METHOD AND DEVICE FOR ENHANCING TRANSDERMAL AGENT FLUX ALZA CORPORATION (US) 2005-02-24 — — WO claimed
US-20050031676-A1 Method and device for enhancing transdermal agent flux ALZA CORPORATION 2005-02-10 — — US claimed
US-20050025778-A1 Microprojection array immunization patch and method ALZA CORPORATION 2005-02-03 — — US claimed
WO-2005002453-A1 MICROPROJECTION ARRAY IMMUNIZATION PATCH AND METHOD ALZA CORPORATION (US) 2005-01-13 — — WO claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 — — EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 — — EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 — — WO claimed
US-4478818-A Ocular preparation housing steroid in two different therapeutic forms ALZA CORPORATION (US) 1984-10-23 — — US claimed

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-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 NR3C1 2322/4885PDE4D 4361/4885ADORA3 1146/4885

“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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