SCHEMBL5222166

SCHEMBL5222166

Cc1ccccc1C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
KCNJ11 Q14654 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
PDK1 Q15118 1/20 0.41

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
SCHEMBL2582219 0.83 MEN1 (0.52) SMN1; SMN2KCNJ11MEN1KMT2AKDM4E
SCHEMBL308249 0.83 ATM (0.46) SMN1; SMN2KCNJ11MEN1KMT2AKDM4E
SCHEMBL11138245 0.80 TSHR (0.47) MEN1KMT2AMAPTALDH1A1ATM
SCHEMBL9418942 0.80 PDK2 (0.40) KCNJ11KDM4ENPSR1ALDH1A1GAA
SCHEMBL13324333 0.79 ACHE (0.41) KCNJ11KDM4ENPSR1ALDH1A1GAA
SCHEMBL23059981 0.77 ALDH1A1 (0.48) SMN1; SMN2KCNJ11MEN1KMT2AKDM4E
SCHEMBL27649195 0.77 ACHE (0.40) SMN1; SMN2KCNJ11MEN1KMT2AKDM4E
SCHEMBL5362483 0.76 ACHE (0.43) KDM4ENPSR1ALDH1A1GAAATM
SCHEMBL3277341 0.76 ACHE (0.43) KDM4ENPSR1ALDH1A1GAAATM
SCHEMBL16105712 0.76 ACHE (0.43) KDM4ENPSR1ALDH1A1GAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11785845-B2 Composition FUJIFILM CORPORATION (JP) 2023-10-10 US disclosed
WO-2023171487-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED ARTICLE, DISPLAY DEVICE, AND METHOD FOR PRODUCING DISPLAY DEVICE 東レ株式会社 2023-09-14 WO disclosed
WO-2022181351-A1 MULTILAYER BODY, DISPLAY DEVICE AND METHOD FOR PRODUCING DISPLAY DEVICE 東レ株式会社 2022-09-01 WO disclosed
US-20220045283-A1 COMPOSITION FUJIFILM CORPORATION (JP) 2022-02-10 US disclosed
EP-1536797-B1 1-AMIDO-4-PHENYL-4-BENZYLOXYMETHYL-PIPERIDINE DERIVATIVES AND RELATED COMOUNDS AS NEUROKININ-1 (NK-1) ANTAGONSISTS FOR THE TREATMENT OF EMESIS, DEPRESSION, ANXIETY AND COUGH SCHERING CORP (US) 2007-04-04 EP disclosed
US-7041682-B2 NK1 antagonists SCHERING CORPORATION (US) 2006-05-09 US disclosed
US-20060094720-A1 NK1 antagonists SHIH NENG-YANG 2006-05-04 US disclosed
EP-1536797-A1 1-AMIDO-4-PHENYL-4-BENZYLOXYMETHYL-PIPERIDINE DERIVATIVES AND RELATED COMOUNDS AS NEUROKININ-1 (NK-1) ANTAGONSISTS FOR THE TREATMENT OF EMESIS, DEPRESSION, ANXIETY AND COUGH SCHERING CORPORATION (US) 2005-06-08 EP disclosed
US-20040072867-A1 NK1 antagonists SCHERING CORPORATION 2004-04-15 US disclosed
WO-2004004722-A1 1-AMIDO-4-PHENYL-4-BENZYLOXYMETHYL-PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS NEUROKININ-1(NK-1) ANTAGONISTS FOR THE TREATMENT OF EMESIS, DEPRESSION, ANXIETY AND COUGH SCHERING CORPORATION (US) 2004-01-15 WO disclosed
CN-1010098-B Process for preparing alpha-fluoroacrylate polymers HOECHST AG (DE) 1990-10-24 CN disclosed
CN-1006380-B Preparation method of alpha-fluoroacrylate and polymer thereof HOECHST AG (DE) 1990-01-10 CN disclosed
CN-1036209-A Process for preparing alpha-fluoroacrylate polymers HOECHST AG (DE) 1989-10-11 CN disclosed
CN-86103531-A Alpha-fluoroacrylates and polymers thereof 1987-01-28 CN 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-20040072867-A1 NK1 antagonists BDKRB1, BDKRB2, MRGPRX1 SMN1; SMN2 3913/4885KCNJ11 21/4885MEN1 1460/4885
US-20220045283-A1 COMPOSITION ADH1A, ADH1C, SLC19A2 SMN1; SMN2 1831/4885KCNJ11 2229/4885MEN1 740/4885
US-11785845-B2 Composition ADH1A, ADH1C, SLC19A2 SMN1; SMN2 1831/4885KCNJ11 2229/4885MEN1 740/4885
US-20060094720-A1 NK1 antagonists BDKRB2, MRGPRX2, MRGPRX1 SMN1; SMN2 4164/4885KCNJ11 98/4885MEN1 1714/4885

“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.