SCHEMBL5613617

SCHEMBL5613617

FC1=C(F)C(F)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
KDM1A O60341 2/20 0.30
KDM1B Q8NB78 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL4359049 0.76 GPR3 (0.46) GPR3HTR2AHTR7HTR2BBCHE
SCHEMBL29797969 0.76 GPR3 (0.46) GPR3HTR2AHTR7HTR2BBCHE
SCHEMBL5067175 0.73
SCHEMBL28884898 0.70 PIM1 (0.45)
SCHEMBL10863356 0.68 MAOA (0.44) GPR3HTR2AHTR7HTR2BHDAC3
SCHEMBL19926520 0.68 MEN1 (0.42) HTR7HTR2BTNKS2BCHE
SCHEMBL10863105 0.68 S100A4 (0.37) GPR3HTR2ATNKS2KDM1AKDM1B
SCHEMBL19934228 0.68 GPR3 (0.34) GPR3HTR2AHTR7HTR2BHDAC3
SCHEMBL4011644 0.67 HTR7 (0.30) GPR3HTR2AHTR7HTR2B
SCHEMBL9811069 0.67 PPIA (0.43) GPR3HTR2ATNKS2KDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7182885-B2 Fluorinated indenes and 1,7-dihydroindacenes of negative dielectric anisotropy MERCK PATENT GMBH (DE) 2007-02-27 US disclosed
US-20030222243-A1 Fluorinated indenes and 1,7-dihydroindacenes of negative dielectric anisotrophy MERCK PATENT GMBH (DE) 2003-12-04 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 (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-20030222243-A1 Fluorinated indenes and 1,7-dihydroindacenes of negative dielectric anisotrophy ZYX, CCNY, LBR GPR3 2398/4885HTR2A 939/4885HTR7 601/4885

“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.