SCHEMBL2098085

SCHEMBL2098085

CCC(C)c1ccc(OP(=O)(O)O)c(C(C)CC)c1C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 9/20 0.42
INPP5A Q14642 5/20 0.42
AKT1 P31749 1/20 0.42
INPP5B P32019 2/20 0.37
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.35
HTR2A P28223 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDE3A Q14432 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 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
SCHEMBL29790800 0.86 INPPL1 (0.46) INPPL1INPP5AAKT1INPP5BTSHR
SCHEMBL6285578 0.86 INPPL1 (0.46) INPPL1INPP5AAKT1INPP5BTSHR
SCHEMBL27999500 0.78 ALDH1A1 (0.41) INPPL1INPP5AAKT1INPP5BTSHR
SCHEMBL27999269 0.77 INPPL1 (0.41) INPPL1INPP5AAKT1INPP5BTSHR
SCHEMBL11682514 0.75 TSHR (0.50) TSHRTHRBKDM4EUSP2ALDH1A1
SCHEMBL29597412 0.73 INPPL1 (0.47) INPPL1INPP5AAKT1INPP5BBLM
SCHEMBL263927 0.73 INPPL1 (0.47) INPPL1INPP5AAKT1INPP5BBLM
Ammonia Solution, Strong SCHEMBL28085268 0.72 INPPL1 (0.46) INPPL1INPP5AAKT1INPP5BBLM
SCHEMBL6287197 0.72 HTR2A (0.44) INPPL1INPP5AAKT1INPP5BHTR2A
Sulfuric Acid SCHEMBL6737852 0.71 HTT (0.41) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799036-B1 AGROCHEMICAL COMPOSITION CONTAINING PHOSPHORIC ACID ESTER CLARIANT PRODUKTE DEUTSCHLAND (DE) 2011-11-09 EP claimed
US-20070275854-A1 Agrochemical Composition Containing Phosphoric Acid Ester HESS JOACHIM 2007-11-29 US claimed
EP-1799036-A2 AGROCHEMICAL COMPOSITION CONTAINING PHOSPHORIC ACID ESTER Clariant Produkte (Deutschland) GmbH (DE) 2007-06-27 EP claimed
WO-2006034817-A2 AGROCHEMICAL COMPOSITION CONTAINING PHOSPHORIC ACID ESTER CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-04-06 WO claimed
US-8163784-B2 Biocidal compositions CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2012-04-24 US disclosed
WO-2011080207-A1 THE USE OF A PHOSPHATED 2-PROPYLHEPTANOL ETHOXYLATE AS A BIOEFFICACY ENHANCER, AND A COMPOSITION CONTAINING THE PHOSPHATED 2-PROPYLHEPTANOL ETHOXYLATE AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-07-07 WO disclosed
EP-1928230-B1 BIOCIDAL COMPOSITIONS CLARIANT PRODUKTE DEUTSCHLAND (DE) 2010-03-31 EP disclosed
EP-2141993-A2 ANTIMICROBIAL COMPOSITIONS Clariant Finance (BVI) Limited (VG) 2010-01-13 EP disclosed
US-20090203756-A1 Biocidal Compositions CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-08-13 US disclosed
WO-2009018981-A2 BIOCIDAL COMPOSITIONS CONSISTING OF 1, 2-BENZISOTHIAZOLIN-3-ONE AND 1, 2-DIBROMO-2, 4-DICYANOBUTANE CLARIANT FINANCE (BVI) LIMITED (VG) 2009-02-12 WO disclosed
WO-2008104310-A2 ANTIMICROBIAL COMPOSITIONS CLARIANT FINANCE (BVI) LIMITED (VG) 2008-09-04 WO disclosed
US-20070275854-A1 Agrochemical Composition Containing Phosphoric Acid Ester HESS JOACHIM 2007-11-29 US disclosed
EP-1767091-A2 Biocidal compositions Clariant Produkte (Deutschland) GmbH (DE) 2007-03-28 EP disclosed
EP-1767093-A2 Biocidal compositions comprising an isothiazoline biocide and N-methyl-2-pyrrolidone Clariant Produkte (Deutschland) GmbH (DE) 2007-03-28 EP disclosed
EP-0707081-A1 Methods for quenching metal FMC CORPORATION (US) 1996-04-17 EP disclosed
US-5490886-A USING ORGANIC PHOSPHATE ESTER FMC CORPORATION (US) 1996-02-13 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-20070275854-A1 Agrochemical Composition Containing Phosphoric Acid Ester PHOSPHO1, PTMS, PTEN INPPL1 29/4885INPP5A 49/4885AKT1 547/4885
US-20090203756-A1 Biocidal Compositions DBH, BBC3, C9 INPPL1 2224/4885INPP5A 2200/4885AKT1 3850/4885

“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.