SCHEMBL4922283

SCHEMBL4922283

O=C(O)/C=C/c1cc(F)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.55
PTGER3 P43115 3/20 0.50
PTGER2 P43116 3/20 0.50
PTGER1 P34995 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MIF P14174 1/20 0.50
TBXA2R P21731 2/20 0.47
PTGFR P43088 2/20 0.47
PTGIR P43119 2/20 0.47
PTGDR Q13258 2/20 0.47
PTGER4 P35408 1/20 0.47
PLA2G1B P04054 1/20 0.47
MAPT P10636 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.43
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 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
SCHEMBL4922284 1.00 TDO2 (0.55) TDO2PTGER3PTGER2PTGER1HTT
SCHEMBL1167315 0.87 TDO2 (0.54) TDO2PTGER3PTGER2PTGER1HTT
SCHEMBL1167316 0.87 TDO2 (0.54) TDO2PTGER3PTGER2PTGER1HTT
SCHEMBL30632999 0.87 TDO2 (0.54) TDO2PTGER3PTGER2PTGER1HTT
Hydrochloric Acid SCHEMBL6821177 0.86 TDO2 (0.53) TDO2PTGER3PTGER2PTGER1HTT
SCHEMBL6798674 0.84 KDM4E (0.45) TDO2HTTKDM4EMAPTLMNA
SCHEMBL6798679 0.84 KDM4E (0.45) TDO2HTTKDM4EMAPTLMNA
SCHEMBL29406682 0.83 PTGER3 (0.55) PTGER3PTGER2PTGER1KDM4ETBXA2R
SCHEMBL7378640 0.83 PTGER3 (0.55) PTGER3PTGER2PTGER1KDM4ETBXA2R
SCHEMBL7378645 0.83 PTGER3 (0.55) PTGER3PTGER2PTGER1KDM4ETBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDO2 1153/4885PTGER3 3931/4885PTGER2 3673/4885
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 TDO2 1153/4885PTGER3 3931/4885PTGER2 3673/4885
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 TDO2 1235/4885PTGER3 3740/4885PTGER2 3624/4885

“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.