SCHEMBL3789260

SCHEMBL3789260

FC(F)(F)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.56
CES2 O00748 2/20 0.50
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
AHR P35869 1/20 0.39
TSHR P16473 2/20 0.39
PTPN5 P54829 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DAO P14920 1/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL11599290 0.86 TSHR (0.58) PDE2ACES2ALDH1A1MAPTMRGPRX4
SCHEMBL11599763 0.86 PDE2A (0.57) PDE2ACES2ALDH1A1MAPTMRGPRX4
SCHEMBL11600693 0.86 PDE2A (0.57) PDE2ACES2ALDH1A1MAPTMRGPRX4
SCHEMBL11598716 0.86 PDE2A (0.53) PDE2ACES2ALDH1A1MAPTMRGPRX4
SCHEMBL8220063 0.85 PDE2A (0.60) PDE2ACES2ALDH1A1MAPTTSHR
SCHEMBL4792259 0.85 PDE2A (0.51) PDE2ACES2ALDH1A1
SCHEMBL21180443 0.81 PDE2A (0.57) PDE2ACES2ALDH1A1MAPTMRGPRX4
SCHEMBL1040760 0.81 CES2 (0.50) PDE2ACES2ALDH1A1
SCHEMBL30418237 0.81 CES2 (0.50) PDE2ACES2ALDH1A1
SCHEMBL29402881 0.80 TSHR (0.61) PDE2AALDH1A1MAPTAHRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US claimed
US-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-6506951-B1 Process for producing brominated trifluoromethylbenzenes CENTRAL GLASS COMPANY, LIMITED (JP) 2003-01-14 US disclosed
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 US disclosed
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US disclosed
US-4079089-A CONTACTING A BIS/TRICHLOROMETHYL/-BENZENE WITH HYDROGEN FLUORIDE, HALOGEN TRANSFER CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PDE2A 4247/4885CES2 2317/4885ALDH1A1 4339/4885
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 PDE2A 3339/4885CES2 1070/4885ALDH1A1 798/4885

“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.