SCHEMBL4274148

SCHEMBL4274148

O=C(O)c1ccc2c3c(Br)cc(C(=O)OC(=O)c4cc(Br)c5c6ccc(C(=O)O)c7c(C(=O)O)cc(Br)c(c8ccc(C(=O)O)c4c85)c76)c4c(C(=O)O)ccc(c5c(Br)cc(C(=O)O)c1c25)c43

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 2/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 2/20 0.32
AKR1C4 P17516 2/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
AKR1C1 Q04828 2/20 0.32
TSHR P16473 2/20 0.31
GLA P06280 1/20 0.31
PTPN1 P18031 2/20 0.30
PRNP P04156 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN6 P29350 1/20 0.30

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
SCHEMBL3077536 0.95 CYP1A2 (0.42) CYP1A2KDM4ELCKFYNMEN1
SCHEMBL148218 0.90 CYP1A2 (0.54) CYP1A2KDM4ELCKFYNESR1
SCHEMBL27725966 0.87 CYP1A2 (0.50) CYP1A2KDM4ELCKFYNESR1
SCHEMBL3723970 0.85 CYP1A2 (0.52) CYP1A2KDM4ELCKFYNESR1
SCHEMBL31202812 0.83 CYP1A2 (0.45) CYP1A2KDM4EESR1ESR2MEN1
SCHEMBL27752313 0.83 CYP1A2 (0.45) CYP1A2KDM4EESR1ESR2MEN1
SCHEMBL28778196 0.81 ALDH1A1 (0.42) CYP1A2KDM4EKMT2ARXFP1HSD17B10
SCHEMBL21752119 0.81 CYP1A2 (0.44) CYP1A2KDM4EESR1ESR2MEN1
SCHEMBL31336516 0.81 CYP1A2 (0.44) CYP1A2KDM4EESR1ESR2MEN1
SCHEMBL30621714 0.81 CYP1A2 (0.44) CYP1A2KDM4EESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378336-B2 Liquid crystalline organic semiconductor material and organic electron device FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-20090315025-A1 LIQUID CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC ELECTRON DEVICE FUJIFILM CORPORATION (JP) 2009-12-24 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 (1 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-20090315025-A1 LIQUID CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL AND ORGANIC ELECTRON DEVICE NONO, OCIAD2, PNN CYP1A2 4287/4885KDM4E 3710/4885LCK 468/4885

“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.