SCHEMBL5147805

SCHEMBL5147805

FC(F)(F)c1ccc(C2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.68
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM1A O60341 1/20 0.45
PPARD Q03181 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL3681390 0.98 HTR2C (0.66) HTR2CHDAC1HDAC8HDAC6KDM1A
SCHEMBL2539686 0.95 HTR2C (0.68) HTR2CHDAC1HDAC8HDAC6KDM1A
SCHEMBL23817068 0.92 HTR2C (0.59) HTR2CKDM1AKMT2A
SCHEMBL1847401 0.91 HTR2C (0.73) HTR2CKDM1A
SCHEMBL26154113 0.89 HTR2C (0.56) HTR2CHDAC1HDAC8HDAC6KDM1A
SCHEMBL8767842 0.89 HTR2C (0.56) HTR2CHDAC1HDAC8HDAC6KDM1A
SCHEMBL23059786 0.87 HTR2C (0.54) HTR2CHDAC1HDAC8HDAC6KDM1A
SCHEMBL20618447 0.86 HTR2C (0.58) HTR2CKDM1APPARDMEN1KMT2A
Cyanide SCHEMBL27770959 0.84 HTR2C (0.66) HTR2CKDM1AMEN1KMT2AKDM4E
SCHEMBL12328269 0.83 HTR2C (0.50) HTR2CKDM1APPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097233-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
CN-110730767-B Process for producing cycloalkyl (trifluoromethyl) benzene 东丽精细化工株式会社 2022-06-24 CN disclosed
US-11066422-B2 Method of producing cycloalkyl(trifluoromethyl)benzene TORAY FINE CHEMICALS CO., LTD. (JP) 2021-07-20 US disclosed
US-20210053992-A1 METHOD OF PRODUCING CYCLOALKYL(TRIFLUOROMETHYL)BENZENE TORAY FINE CHEMICALS CO., LTD. (JP) 2021-02-25 US disclosed
EP-3653594-A1 PRODUCTION METHOD FOR CYCLOALKYL(TRIFLUOROMETHYL)BENZENE Toray Fine Chemicals Co., Ltd. (JP) 2020-05-20 EP disclosed
CN-110730767-A Process for producing cycloalkyl (trifluoromethyl) benzene 东丽精细化工株式会社 2020-01-24 CN disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 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 (5 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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML HTR2C 4854/4885HDAC1 346/4885HDAC8 186/4885
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 HTR2C 3081/4885HDAC1 390/4885HDAC8 434/4885
US-11066422-B2 Method of producing cycloalkyl(trifluoromethyl)benzene HCN4, MAP2K4, GRHPR HTR2C 3175/4885HDAC1 2135/4885HDAC8 1762/4885
US-20210053992-A1 METHOD OF PRODUCING CYCLOALKYL(TRIFLUOROMETHYL)BENZENE HCN4, MAP2K4, GRHPR HTR2C 3175/4885HDAC1 2135/4885HDAC8 1762/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC HTR2C 3076/4885HDAC1 540/4885HDAC8 506/4885

“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.