SCHEMBL1674366

SCHEMBL1674366

O=C(O)C=Cc1cc(Cl)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.54
ITGB2 P05107 2/20 0.50
ICAM1 P05362 2/20 0.50
ITGAL P20701 2/20 0.50
PTGER3 P43115 2/20 0.50
PTGER2 P43116 2/20 0.50
MAPT P10636 2/20 0.50
TBXA2R P21731 1/20 0.50
PTGFR P43088 1/20 0.50
PTGIR P43119 1/20 0.50
PTGDR Q13258 1/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
LMNA P02545 1/20 0.47
MDM2 Q00987 1/20 0.44
PLAU P00749 1/20 0.44
TDO2 P48775 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NFKB1 P19838 1/20 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
SCHEMBL4925948 1.00 MIF (0.54) MIFITGB2ICAM1ITGALPTGER3
SCHEMBL1233597 0.87 MIF (0.67) MIFITGB2ICAM1ITGALPTGER3
SCHEMBL30278657 0.87 MIF (0.67) MIFITGB2ICAM1ITGALPTGER3
SCHEMBL29414316 0.87 MIF (0.67) MIFITGB2ICAM1ITGALPTGER3
SCHEMBL1233600 0.87 MIF (0.67) MIFITGB2ICAM1ITGALPTGER3
SCHEMBL27559497 0.85 MAPT (0.42) MIFMAPTLMNAKDM4EALDH1A1
SCHEMBL65191 0.85 TDO2 (0.58) MIFLMNATDO2CA1CA2
SCHEMBL65190 0.85 TDO2 (0.58) MIFLMNATDO2CA1CA2
SCHEMBL14086377 0.85 TDO2 (0.58) MIFLMNATDO2CA1CA2
SCHEMBL29535211 0.85 TDO2 (0.58) MIFLMNATDO2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011042378-A1 SUBSTITUTED CYANOBUTYRATES HAVING HERBICIDAL EFFECT BASF SE (DE) 2011-04-14 WO disclosed
US-20080200731-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-7381832-B2 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2008-06-03 US disclosed
US-20050234264-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-10-20 US disclosed
US-6956129-B2 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-10-18 US disclosed
US-20020115885-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2002-08-22 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 (3 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-20050234264-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH MIF 878/4885ITGB2 3345/4885ICAM1 1324/4885
US-20080200731-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH MIF 878/4885ITGB2 3345/4885ICAM1 1324/4885
US-20020115885-A1 Polyhalogen-substituted cinnamic acids and cinnamic acid derivatives and a process for the preparation of polyhalogen-substituted cinnamic acids and cinnamic acid derivatives DDT, DDC, NISCH MIF 734/4885ITGB2 3628/4885ICAM1 1319/4885

“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.