SCHEMBL403443

SCHEMBL403443

CCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.55
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
EPHX2 P34913 3/20 0.44
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3990976 0.96 IDH1 (0.58) IDH1KMT2ALMNAL3MBTL1POLB
SCHEMBL11083861 0.95 IDH1 (0.52) IDH1KMT2ALMNAL3MBTL1POLB
SCHEMBL11210510 0.91 IDH1 (0.51) IDH1KMT2ALMNAL3MBTL1POLB
SCHEMBL11089279 0.91 IDH1 (0.48) IDH1KMT2ALMNAL3MBTL1PPARG
SCHEMBL10646208 0.90 IDH1 (0.50) IDH1KMT2ALMNAL3MBTL1POLB
SCHEMBL10967553 0.89 IDH1 (0.46) IDH1KMT2ALMNAL3MBTL1PPARG
SCHEMBL11548487 0.88 L3MBTL1 (0.63) KMT2ALMNAL3MBTL1POLBEPHX2
SCHEMBL10755853 0.88 IDH1 (0.45) IDH1KMT2ALMNAL3MBTL1PPARG
SCHEMBL11516273 0.88 IDH1 (0.53) IDH1KMT2ALMNAL3MBTL1POLB
SCHEMBL21992625 0.86 IDH1 (0.44) IDH1KMT2APOLBPPARGPPARA

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 288 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4380661-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1983-04-19 US claimed
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
EP-3599077-B1 METHOD OF FORMING CONDUCTIVE THREE-DIMENSIONAL ARTICLES XEROX CORP (US) 2022-02-16 EP disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10821658-B2 Conductive three-dimensional articles XEROX CORPORATION (US) 2020-11-03 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 US disclosed
US-20200031041-A1 CONDUCTIVE THREE-DIMENSIONAL ARTICLES Genesee Valley Innovations, LLC 2020-01-30 US disclosed
EP-0247424-A1 Propionic acid thiol ester derivatives, processes for their production and herbicidal compositions containing them Tosoh Corporation (JP) 1987-12-02 EP disclosed
EP-0201775-A2 Derivative of propionic acid and selective herbicide containing the same AGRO-KANESHO CO., LTD. (JP) 1986-11-20 EP disclosed
US-4531969-A Combatting growth of weeds HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
US-4380661-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1983-04-19 US disclosed
US-4332961-A BENZYL ESTER OF 4-TRIFLUOROMETHYLPHENOXYPHENOXYALKANECARBOXYLIC ACID ISHIHARA SANGYO KAISHA, LTD. (JP) 1982-06-01 US disclosed
US-4332960-A (4-TRIFLUOROMETHYLPHENOXY) PHENOXY PROPIONATE HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
US-4314069-A ESTERS OF A-(4-(4-TRIFLUOROMETHYL)PHENOXY)0PHENOXY)ALKANECARBOXYLIC ACIDS ISHIHARA SANGYO KAISHA, LTD. (JP) 1982-02-02 US disclosed
US-4309562-A SELECTIVE KILLING OF GRASSY WEEDS IN BROAD-LEAFED CROPS ISHIHARA SANGYO KAISHA, LTD. (JP) 1982-01-05 US disclosed
US-4270948-A (TRIFLUOROMETHYLPHENOXY)PHENOXYALKANE THIOCARBOXYLATE ISHIHARA SANGYO KAISHA LTD. (JP) 1981-06-02 US disclosed
US-4200587-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1980-04-29 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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 IDH1 2003/4885KMT2A 4842/4885LMNA 4533/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 IDH1 2003/4885KMT2A 4842/4885LMNA 4533/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 IDH1 2003/4885KMT2A 4842/4885LMNA 4533/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 IDH1 2003/4885KMT2A 4842/4885LMNA 4533/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 IDH1 2003/4885KMT2A 4842/4885LMNA 4533/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 IDH1 2003/4885KMT2A 4842/4885LMNA 4533/4885

“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.