SCHEMBL3122824

SCHEMBL3122824

FC1(F)Cc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3113866 0.78 SIGMAR1 (0.45) MAOAMAOBTSHRNPSR1SIGMAR1
SCHEMBL29392702 0.78 SIGMAR1 (0.45) MAOAMAOBTSHRNPSR1SIGMAR1
SCHEMBL2023897 0.76 MAOA (0.42) MAOAMAOBCYP2D6TSHRCYP2C19
SCHEMBL24181279 0.75 CYP2D6 (0.37) MAOAMAOBCYP2D6TSHRCYP2C19
SCHEMBL31069756 0.75 MAOB (0.37) MAOAMAOBCYP2D6TSHRCYP2C19
SCHEMBL31205377 0.75 SIGMAR1 (0.40) MAOAMAOBTSHRSIGMAR1DRD2
SCHEMBL28860430 0.74 HTR2A (0.39) MAOAMAOBCYP2D6TSHRCYP2C19
SCHEMBL7621490 0.74 CYP2D6 (0.36) MAOAMAOBCYP2D6TSHRCYP2C19
SCHEMBL22032186 0.73 SIGMAR1 (0.44) MAOAMAOBCYP2D6TSHRCYP2C19
SCHEMBL1441712 0.73 PKM (0.41) MAOAMAOBCYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126006-A Gem difluoro dihydrobenzofuran derivative and preparation method thereof 贵州理工学院 2024-06-04 CN claimed
CN-118126006-A Gem difluoro dihydrobenzofuran derivative and preparation method thereof 贵州理工学院 2024-06-04 CN disclosed
CN-118126006-A Gem difluoro dihydrobenzofuran derivative and preparation method thereof 贵州理工学院 2024-06-04 CN disclosed
CN-118126006-A Gem difluoro dihydrobenzofuran derivative and preparation method thereof 贵州理工学院 2024-06-04 CN disclosed
EP-4277901-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 WO disclosed
WO-2022152821-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
CN-109867645-B Synthetic method of 2, 2-difluoro-2, 3-dihydro-substituted benzofuran compound 中国医学科学院药物研究所 2021-09-14 CN disclosed
US-7648742-B2 Difluorosubstituted heterocyclic compounds and the use thereof in the form of components in liquid crystalline media MERCK PATENT GMBH (DE) 2010-01-19 US disclosed
US-7648742-B2 Difluorosubstituted heterocyclic compounds and the use thereof in the form of components in liquid crystalline media MERCK PATENT GMBH (DE) 2010-01-19 US disclosed
US-7648742-B2 Difluorosubstituted heterocyclic compounds and the use thereof in the form of components in liquid crystalline media MERCK PATENT GMBH (DE) 2010-01-19 US disclosed
US-20080071097-A1 Difluorosubstituted Heterocyclic Compounds and the Use Thereof in the Form of Components in Liquid Crystalline Media MERCK PATENT GMBH (DE) 2008-03-20 US disclosed
US-20080071097-A1 Difluorosubstituted Heterocyclic Compounds and the Use Thereof in the Form of Components in Liquid Crystalline Media MERCK PATENT GMBH (DE) 2008-03-20 US disclosed
US-20080071097-A1 Difluorosubstituted Heterocyclic Compounds and the Use Thereof in the Form of Components in Liquid Crystalline Media MERCK PATENT GMBH (DE) 2008-03-20 US disclosed
WO-2006012965-A1 DIFLUOROSUBSTITUTED HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN THE FORM OF COMPONENTS IN LIQUID CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2006-02-09 WO 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-20080071097-A1 Difluorosubstituted Heterocyclic Compounds and the Use Thereof in the Form of Components in Liquid Crystalline Media C1S, CCND3, CCND2 MAOA 603/4885MAOB 131/4885CYP2D6 587/4885

“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.