SCHEMBL974313

SCHEMBL974313

CC1CCC(c2c(-c3c(F)cc(F)cc3F)c(Cl)nc3ncnn23)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.38
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4820670 0.90 PDE2A (0.36) PDE2ATSHRALDH1A1POLBKMT2A
SCHEMBL973762 0.88 PDE2A (0.41) PDE2A
SCHEMBL976541 0.87 MAPK1 (0.39) PDE2ATSHRALDH1A1POLBKMT2A
SCHEMBL6995451 0.84 PDE2A (0.39) PDE2A
SCHEMBL6993978 0.84 PDE2A (0.41) PDE2ATSHRALDH1A1GLANPSR1
SCHEMBL4816931 0.82 PDE2A (0.35) PDE2ATSHRALDH1A1POLBKMT2A
SCHEMBL6996530 0.82 PDE2A (0.35) PDE2ATSHRALDH1A1POLBKMT2A
SCHEMBL81282 0.82 TSHR (0.41) PDE2ATSHRALDH1A1POLBKMT2A
SCHEMBL6997129 0.81 PDE2A (0.38) PDE2A
SCHEMBL6990103 0.81 PDE2A (0.40) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190230925-A1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2019-08-01 US disclosed
US-8974806-B2 Method for producing aqueous active substance compositions of active substances that are hardly soluble in water BASF AKTIENGESELLSCHAFT (DE) 2015-03-10 US disclosed
US-8741324-B2 Liquid pesticide compositions BASF SE (DE) 2014-06-03 US disclosed
US-8728504-B2 Process for solubilizing hydrophobic active ingredients in aqueous medium BASF SE (DE) 2014-05-20 US disclosed
EP-2676680-A1 Use of hydrophobin polypeptides as penetration enhancers BASF SE (DE) 2013-12-25 EP disclosed
US-8497230-B2 Solid crop protection agents containing polyalkoxylate, method for their production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2013-07-30 US disclosed
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER BASF SE (DE) 2013-05-16 US disclosed
EP-1763300-B1 USE OF ETHER GROUP-CONTAINING POLYMERS AS SOLUBILIZERS BASF SE (DE) 2013-05-15 EP disclosed
US-20110312497-A1 USE OF HYDROPHOBIN AS A SPREADING AGENT BASF SE (DE) 2011-12-22 US disclosed
US-20110195844-A1 PROCESS FOR SOLUBILIZING HYDROPHOBIC ACTIVE INGREDIENTS IN AQUEOUS MEDIUM BASF SE (DE) 2011-08-11 US disclosed
EP-1756188-B1 AMPHIPHILIC POLYMER COMPOSITIONS AND THEIR USE BASF AG (DE) 2007-12-05 EP disclosed
EP-1851262-A1 POLYMER COMPOSITIONS AND THEIR USE IN THE PRODUCTION OF ACTIVE OR EFFECTIVE INGREDIENT COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2007-11-07 EP disclosed
US-20070184983-A1 Liquid pesticide compositions BASF SE (DE) 2007-08-09 US disclosed
WO-2007048851-A1 SOLID CROP PROTECTION AGENTS CONTAINING POLYALKOXYLATE, METHOD FOR THEIR PRODUCTION AND USE THEREOF BASF SE (DE) 2007-05-03 WO disclosed
EP-1776010-A2 METHOD FOR PRODUCING AQUEOUS ACTIVE SUBSTANCE COMPOSITIONS OF ACTIVE SUBSTANCES THAT ARE HARDLY SOLUBLE IN WATER BASF AKTIENGESELLSCHAFT (DE) 2007-04-25 EP disclosed
EP-1773121-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
WO-2006125644-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006084680-A1 POLYMER COMPOSITIONS AND THEIR USE IN THE PRODUCTION OF ACTIVE OR EFFECTIVE INGREDIENT COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-08-17 WO disclosed
WO-2006015791-A2 METHOD FOR PRODUCING AQUEOUS ACTIVE SUBSTANCE COMPOSITIONS OF ACTIVE SUBSTANCES THAT ARE HARDLY SOLUBLE IN WATER BASF AKTIENGESELLSCHAFT (DE) 2006-02-16 WO disclosed
WO-2006002984-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-01-12 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 (5 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-20110312497-A1 USE OF HYDROPHOBIN AS A SPREADING AGENT PFN1, DSTN, CHN2 PDE2A 3375/4885TSHR 4646/4885ALDH1A1 3404/4885
US-20190230925-A1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE CBR3, CBR1, C9 PDE2A 2777/4885TSHR 1342/4885ALDH1A1 2014/4885
US-20110195844-A1 PROCESS FOR SOLUBILIZING HYDROPHOBIC ACTIVE INGREDIENTS IN AQUEOUS MEDIUM IDUA, PHOSPHO1, HDHD5 PDE2A 3057/4885TSHR 4465/4885ALDH1A1 3286/4885
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER NOS1, NOS3, NPSR1 PDE2A 310/4885TSHR 3493/4885ALDH1A1 2770/4885
US-20070184983-A1 Liquid pesticide compositions CBR3, BBC3, DDT PDE2A 2608/4885TSHR 992/4885ALDH1A1 2725/4885

“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.