SCHEMBL3972162

SCHEMBL3972162

CCCCCCCCC(Oc1ccccc1)(OS(=O)(=O)[O-])C(OCC)OCC.[Na+]

nearest known ligand 0.34

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
PPARG known ✓ P37231 1/20 0.31
CA12 known ✓ O43570 1/20 0.31
CA1 known ✓ P00915 1/20 0.31
CA2 known ✓ P00918 1/20 0.31
CA4 known ✓ P22748 1/20 0.31
FUT7 Q11130 1/20 0.34
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
BLM P54132 1/20 0.33
NR1I2 O75469 1/20 0.32
PPARA Q07869 1/20 0.31
CTRC Q99895 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL8861609 0.81 KCNH2 (0.34) FUT7NR1I2PPARGPPARACTRC
SCHEMBL10876648 0.80 RECQL (0.39) FUT7RECQLGLAHPGDTSHR
SCHEMBL11864315 0.78 FUT7 (0.39) FUT7RECQLGLAHPGDTSHR
SCHEMBL10698017 0.75 ZDHHC2 (0.36) EPHX2PPARGPPARA
SCHEMBL11650776 0.74 FUT7 (0.36) FUT7RECQLGLAHPGDTSHR
SCHEMBL11547684 0.72 CNR1 (0.38) MAPK1NR1I2PPARGPPARALTA4H
SCHEMBL28222999 0.71 KCNH2 (0.37) FUT7RECQLGLAHPGDTSHR
SCHEMBL8708165 0.71 LTA4H (0.39) FUT7MAPK1NR1I2LTA4HKCNH2
Ammonia Solution, Strong SCHEMBL11573924 0.69 PPARG (0.31) PPARGPPARACA12CA9LTA4H
SCHEMBL27488411 0.69 ZDHHC2 (0.39) PPARGPPARALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466582-B1 Hair treatment agent comprising a silylated peptide-silane copolymer SEIWA KASEI CO LTD (JP) 2009-07-29 EP disclosed
US-20040202637-A1 Hair treatment agent, shampoo and hair coloring agent SEIWA KASEI COMPANY, LIMITED (JP) 2004-10-14 US disclosed
EP-1466582-A1 Hair treatment composition comprising a silylated peptide-silane copolymer Seiwa Kasei Company, Limited (JP) 2004-10-13 EP 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-20040202637-A1 Hair treatment agent, shampoo and hair coloring agent SRM, SRMS, SPOP PPARG 3613/4885CA12 1420/4885CA1 1407/4885

“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.