SCHEMBL2865712

SCHEMBL2865712

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.46

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
LMNA P02545 3/20 0.46
SLC25A20 O43772 3/20 0.45
TP53 P04637 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
SLC6A5 Q9Y345 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PRKCA P17252 1/20 0.40

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
SCHEMBL2860548 1.00 LMNA (0.46) LMNASLC25A20TP53CYP2D6TSHR
SCHEMBL2867629 1.00 LMNA (0.46) LMNASLC25A20TP53CYP2D6TSHR
SCHEMBL2864171 1.00 LMNA (0.46) LMNASLC25A20TP53CYP2D6TSHR
SCHEMBL2867137 1.00 LMNA (0.46) LMNASLC25A20TP53CYP2D6TSHR
SCHEMBL2867333 1.00 LMNA (0.46) LMNASLC25A20TP53CYP2D6TSHR
SCHEMBL2869776 0.88 LMNA (0.43) LMNASLC25A20TP53CYP2D6TSHR
SCHEMBL31158245 0.73 HSPD1 (0.51) LMNAMEN1NFKB1KMT2AHSD17B10
SCHEMBL2576828 0.72 NAAA (0.37) LMNATSHRALDH1A1
SCHEMBL25342356 0.71 LMNA (0.65) LMNASLC25A20TP53CYP2D6TSHR
SCHEMBL26108826 0.71 LMNA (0.65) LMNASLC25A20TP53CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799631-B1 HYDROXYCITRIC ACID DERIVATIVES AND SKIN EXTERNAL PREPARATIONS CONTAINING THE SAME SHOWA DENKO KK (JP) 2017-01-25 EP disclosed
US-7846970-B2 Hydroxycitric acid derivatives and skin external preparations containing the same SHOWA DENKO K.K. (JP) 2010-12-07 US disclosed
US-20070293577-A1 Hydroxycitric Acid Derivatives And Skin External Preparations Using The Same SHOWA DENKO K.K. (JP) 2007-12-20 US disclosed
EP-1799631-A1 HYDROXYCITRIC ACID DERIVATIVES AND SKIN EXTERNAL PREPARATIONS CONTAINING THE SAME Showa Denko K.K. (JP) 2007-06-27 EP disclosed
WO-2006033476-A1 HYDROXYCITRIC ACID DERIVATIVES AND SKIN EXTERNAL PREPARATIONS CONTAINING THE SAME SHOWA DENKO K.K. (JP) 2006-03-30 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-20070293577-A1 Hydroxycitric Acid Derivatives And Skin External Preparations Using The Same HAAO, CYP8B1, CUTA LMNA 2863/4885SLC25A20 386/4885TP53 918/4885

“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.