SCHEMBL14870686

SCHEMBL14870686

COC(=O)c1cc(Cl)c(C(F)(F)F)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.51
PDK2 Q15119 3/20 0.48
PDK1 Q15118 2/20 0.48
PDK3 Q15120 2/20 0.48
PDK4 Q16654 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL29154612 0.83 CA12 (0.48) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL19067553 0.80 NOTUM (0.54) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL10322343 0.80 NOTUM (0.50) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL23826367 0.79 NOTUM (0.53) NOTUMCA12CA1CA2CA7
SCHEMBL816310 0.79 NOTUM (0.57) NOTUMCA12CA1CA2CA7
SCHEMBL9330766 0.79 CA12 (0.52) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL10322791 0.78 NOTUM (0.49) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL15358059 0.78 NOTUM (0.49) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL15358151 0.78 NOTUM (0.49) NOTUMPDK2PDK1PDK3PDK4
SCHEMBL8336066 0.78 CA1 (0.56) PDK2PDK1PDK3PDK4CA12

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
US-9293713-B2 Arylamine compound RICOH COMPANY, LTD. (JP) 2016-03-22 US disclosed
US-9293713-B2 Arylamine compound RICOH COMPANY, LTD. (JP) 2016-03-22 US disclosed
US-20130225858-A1 ARYLAMINE COMPOUND RICOH COMPANY, LTD. (JP) 2013-08-29 US disclosed
US-20130225858-A1 ARYLAMINE COMPOUND RICOH COMPANY, LTD. (JP) 2013-08-29 US disclosed
US-20130095605-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2013-04-18 US disclosed
US-20130095605-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2013-04-18 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-20130095605-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FORMED THEREFROM, ORGANIC ELECTRONIC DEVICE, ORGANIC THIN-FILM TRANSISTOR AND DISPLAY DEVICE USING THE ORGANIC SEMICONDUCTOR MATERIAL, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI ELECTRON CONJUGATED COMPOUND THEM6, ORMDL3, INTS6 NOTUM 24/4885PDK2 1451/4885PDK1 1901/4885

“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.