SCHEMBL5384985

SCHEMBL5384985

Clc1ccc(C(Cl)(Cl)C(Cl)(Cl)c2ccc(Cl)c(Cl)c2)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.75
AHR P35869 4/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
KIF11 P52732 2/20 0.41
CYP1B1 Q16678 1/20 0.40
CYP19A1 P11511 1/20 0.40
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAD51 Q06609 1/20 0.36
PNMT P11086 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL1843312 0.86 TSHR (1.00) TSHRAHRTP53HSD17B10CYP3A4
SCHEMBL10399643 0.86 TSHR (0.71) TSHRAHRTP53HSD17B10CYP3A4
SCHEMBL11591961 0.83 TSHR (0.68) TSHRAHRTP53HSD17B10CYP3A4
SCHEMBL11665761 0.81 TSHR (0.65) TSHRAHRTP53HSD17B10CYP3A4
SCHEMBL29402881 0.78 TSHR (0.61) TSHRAHRTP53ALDH1A1RAD51
SCHEMBL980201 0.78 TSHR (0.61) TSHRAHRTP53ALDH1A1RAD51
SCHEMBL799541 0.78 TSHR (0.61) TSHRAHRTP53HSD17B10CYP3A4
SCHEMBL5406314 0.78 TSHR (0.68) TSHRAHRTP53HSD17B10CYP3A4
SCHEMBL11501810 0.78 TSHR (0.60) TSHRAHRTP53HSD17B10CYP3A4
SCHEMBL11867927 0.78 TSHR (0.60) TSHRAHRTP53HSD17B10CYP3A4

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-20070270618-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols MARHOLD ALBRECHT 2007-11-22 US disclosed
US-7268260-B2 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols LANXESS DEUTSCHLAND GMBH (DE) 2007-09-11 US disclosed
US-20060266985-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols MARHOLD ALBRECHT 2006-11-30 US disclosed
US-7112704-B2 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols BAYER AKTIENGESELLSCHAFT (DE) 2006-09-26 US disclosed
US-20050230669-A1 coupling 4-halobenzotrichlorides in the presence of copper and tertiary amine solvents, to form chemical intermediates for liquid crystals, flameproofing, polyesters, polyethers or polycarbonates LANXESS DEUTSCHLAND GMBH (DE) 2005-10-20 US disclosed
US-6936739-B2 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols BAYER AKTIENGESELLSCHAFT (DE) 2005-08-30 US disclosed
US-20030009060-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols LANXESS DEUTSCHLAND GMBH (DE) 2003-01-09 US disclosed
EP-1262471-A2 Fluorine-containing bisphenols, their preparation, intermediates towards their preparation, and their use BAYER AG (DE) 2002-12-04 EP 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 (4 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-20050230669-A1 coupling 4-halobenzotrichlorides in the presence of copper and tertiary amine solvents, to form chemical intermediates for liquid crystals, flameproofing, polyesters, polyethers or polycarbonates CYP4F2, CYP4F12, CYP4F3 TSHR 431/4885AHR 124/4885TP53 3347/4885
US-20060266985-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 TSHR 222/4885AHR 38/4885TP53 458/4885
US-20070270618-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 TSHR 222/4885AHR 38/4885TP53 458/4885
US-20030009060-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP2F1, HNF4A, FLI1 TSHR 219/4885AHR 28/4885TP53 766/4885

“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.