SCHEMBL4523648

SCHEMBL4523648

Cc1ccccc1OCC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
AOC2 O75106 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SCN4A P35499 2/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
G6PD P11413 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL28288419 0.84 MAPT (0.52) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL19563032 0.84 HTR1B (0.51) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL23977878 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL8570866 0.82 PTPN1 (0.41) ALDH1A1KDM4ECYP1A2MAOAMEN1
SCHEMBL1710086 0.81 KDM4E (0.45) ALDH1A1GLAKDM4ECYP1A2AOC2
SCHEMBL5376369 0.81 MAPT (0.47) ALDH1A1KDM4ECYP1A2AOC2MAOA
SCHEMBL23977882 0.81 HSP90AA1 (0.39) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL8083251 0.81 ALDH1A1 (0.48) ALDH1A1GLAKDM4ECYP1A2AOC2
SCHEMBL23977889 0.80 SMN1; SMN2 (0.39) ALDH1A1KDM4ECYP1A2MAOAMEN1
SCHEMBL10316560 0.79 L3MBTL1 (0.53) ALDH1A1GLAKDM4ECYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414429-A Pyrazole compounds and their use as T-type calcium channel blockers 埃科特莱茵药品有限公司 2017-02-15 CN claimed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 EP disclosed
US-11693310-B2 Blue curable resin composition, blue color filter, and display device including same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
US-11693310-B2 Blue curable resin composition, blue color filter, and display device including same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
WO-2021131835-A1 COLORED RESIN COMPOSITION 住友化学株式会社 2021-07-01 WO disclosed
WO-2021131834-A1 COLORED RESIN COMPOSITION 住友化学株式会社 2021-07-01 WO disclosed
WO-2021039491-A1 COLORED RESIN COMPOSITION 住友化学株式会社 2021-03-04 WO disclosed
US-20200371435-A1 BLUE CURABLE RESIN COMPOSITION, BLUE COLOR FILTER, AND DISPLAY DEVICE INCLUDING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-11-26 US disclosed
WO-2019195159-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-10-10 WO disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
CN-101516817-A Process for the preparation of trifluoroethoxytoluenes GRINDEKS JSC (LV) 2009-08-26 CN disclosed
CN-101516817-A Process for the preparation of trifluoroethoxytoluenes GRINDEKS JSC (LV) 2009-08-26 CN disclosed
CN-101516845-A Preparation method of 2, 5-bis (2,2, 2-trifluoroethoxy) -N- (2-piperidylmethyl) -benzamide and salt thereof GRINDEKS JSC (LV) 2009-08-26 CN disclosed
EP-2079674-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES Grindeks, a joint stock company (LV) 2009-07-22 EP disclosed
WO-2008055849-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES GRINDEKS, A JOINT STOCK COMPANY (LV) 2008-05-15 WO disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP disclosed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US disclosed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US disclosed
US-7196197-B2 Process for the preparation of Flecainide, its pharmaceutically acceptable salts and important intermediates thereof APOTEX PHARMACHEM INC. 2007-03-27 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 (2 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 ALDH1A1 1328/4885GLA 4864/4885KDM4E 3600/4885
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 ALDH1A1 51/4885GLA 2202/4885KDM4E 3759/4885

“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.