SCHEMBL221559

SCHEMBL221559

Cc1cc([O-])c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21.[Na+]

nearest known ligand 0.85

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
DHFR known ✓ P00374 1/20 0.44
THRB known ✓ P10828 1/20 0.32
CDK2 P24941 1/20 0.85
ALDH1A1 P00352 5/20 0.64
CYP3A4 P08684 4/20 0.64
MAPK1 P28482 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 5/20 0.52
CYP1A2 P05177 4/20 0.52
MAPT P10636 4/20 0.52
CYP2C9 P11712 3/20 0.52
HIF1A Q16665 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 2/20 0.52
ALOX15 P16050 2/20 0.52
TP53 P04637 1/20 0.52
PAX8 Q06710 1/20 0.52
PTPN11 Q06124 2/20 0.44
KMT2A Q03164 3/20 0.43

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
SCHEMBL29837429 1.00 CDK2 (0.85) CDK2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL41734 0.92 CDK2 (1.00) CDK2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL29707853 0.92 CDK2 (1.00) CDK2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL16303135 0.82 CDK2 (0.80) CDK2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL16303130 0.82 CDK2 (0.80) CDK2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL29446745 0.79 CYP3A4 (1.00) CDK2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL62880 0.79 CYP3A4 (1.00) CDK2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL1554446 0.78 CYP3A4 (0.74) CDK2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL11745288 0.78 CYP3A4 (0.73) CDK2ALDH1A1CYP3A4MAPK1TDP1
SCHEMBL14905353 0.76 CYP3A4 (0.78) CDK2ALDH1A1CYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024068274-A1 CATIONICALLY CURABLE ADHESIVE WITH HOLDING-STRENGTH INDICATION TESA SE (DE) 2024-04-04 WO disclosed
US-10589003-B2 Methods for coating surfaces with antimicrobial agents THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-17 US disclosed
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-25 US disclosed
US-9778242-B2 Metal working fluid composition and method of detecting fluid deterioration ILLINOIS TOOL WORKS INC. (US) 2017-10-03 US disclosed
EP-1372581-B1 COMPOSITION FOR SIMULTANEOUSLY LIGHTENING AND COLORING HAIR UTILIZING BLEACH-STABLE ACID AND BASIC DYES AVANT GARDE INC L (US) 2015-12-23 EP disclosed
US-20150064741-A1 METAL WORKING FLUID COMPOSITION AND METHOD OF DETECTING FLUID DETERIORATION ILLINOIS TOOL WORKS INC. 2015-03-05 US disclosed
EP-1419268-B1 SECRETION-MONITORING ARTICLE COMMON SENSE LTD (IL) 2012-11-21 EP disclosed
US-20120003685-A1 DIAGNOSTIC COMPOSITION AND ARTICLE FOR MONITORING INTRAVAGINAL INFECTIONS COMMON SENSE LTD. (IL) 2012-01-05 US disclosed
US-7947467-B2 Methods for monitoring pathological conditions in a female subject COMMON SENSE LTD. (IL) 2011-05-24 US disclosed
US-20100136707-A1 METHODS FOR MONITORING PATHOLOGICAL CONDITIONS IN A FEMALE SUBJECT COMMON SENSE LTD. (IL) 2010-06-03 US disclosed
US-20050197634-A1 Methods for coating and impregnating medical devices with antiseptic compositions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-09-08 US disclosed
EP-1565140-A2 SECRETION-TESTING ARTICLE Common Sense Ltd. (IL) 2005-08-24 EP disclosed
US-6921647-B2 Secretion-monitoring article COMMON SENSE LTD. (IL) 2005-07-26 US disclosed
EP-1372581-A4 COMPOSITION FOR SIMULTANEOUSLY LIGHTENING AND COLORING HAIR UTILIZING BLEACH-STABLE ACID AND BASIC DYES AVANT GARDE INC L (US) 2005-04-20 EP disclosed
EP-1419268-A2 SECRETION-MONITORING ARTICLE Common Sense Ltd. (IL) 2004-05-19 EP disclosed
WO-2004040253-A2 SECRETION-TESTING ARTICLE COMMON SENSE LTD. (IL) 2004-05-13 WO disclosed
EP-1372581-A1 COMPOSITION FOR SIMULTANEOUSLY LIGHTENING AND COLORING HAIR UTILIZING BLEACH-STABLE ACID AND BASIC DYES L'Avant Garde Inc. (US) 2004-01-02 EP disclosed
US-6627394-B2 Apparatus for detecting vaginal fluids for use in the diagnosis of urogenital disorders COMMON SENSE LTD. (IL) 2003-09-30 US disclosed
WO-2003007997-A2 SECRETION-MONITORING ARTICLE COMMON SENSE LTD. (IL) 2003-01-30 WO disclosed
WO-2002074270-A1 COMPOSITION FOR SIMULTANEOUSLY LIGHTENING AND COLORING HAIR UTILIZING BLEACH-STABLE ACID AND BASIC DYES L'AVANT GARDE INC. (US) 2002-09-26 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 (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-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 DHFR 4039/4885THRB 4713/4885CDK2 4391/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 DHFR 4039/4885THRB 4713/4885CDK2 4391/4885

“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.