SCHEMBL31258594

SCHEMBL31258594

O=C(C=Cc1ccc(C(F)(F)F)cc1)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 1.00
HDAC3 O15379 1/20 0.70
ADAM17 P78536 1/20 0.70
HDAC1 Q13547 1/20 0.70
HDAC2 Q92769 1/20 0.70
HDAC10 Q969S8 1/20 0.70
HDAC11 Q96DB2 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
HDAC5 Q9UQL6 1/20 0.70
CYP1A1 P04798 5/20 0.62
CYP1B1 Q16678 5/20 0.62
P4HB P07237 1/20 0.62
HSD11B1 P28845 2/20 0.61
MAOB P27338 6/20 0.59
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
F3 P13726 1/20 0.57
TYR P14679 1/20 0.57
MAOA P21397 3/20 0.57

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
SCHEMBL8781291 1.00 CYP1A2 (1.00) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL8781296 1.00 CYP1A2 (1.00) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL11971119 0.93 CYP1A2 (0.86) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL28739875 0.93 CYP1A2 (0.86) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL11971113 0.93 CYP1A2 (0.86) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL10467116 0.91 CYP1A2 (0.83) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL11999777 0.91 CYP1A2 (0.83) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL10467114 0.91 CYP1A2 (0.83) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL8858005 0.89 CYP1A2 (0.79) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL8858000 0.89 CYP1A2 (0.79) CYP1A2HDAC3ADAM17HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240390294-A1 INHIBITION OF COVID-19 VIRUS BY MULTIPLE-COMPONENT FORMULATIONS ANKH LIFE SCIENCES LIMITED (IE) 2024-11-28 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-20240390294-A1 INHIBITION OF COVID-19 VIRUS BY MULTIPLE-COMPONENT FORMULATIONS MAVS, IDO2, IDO1 CYP1A2 392/4885HDAC3 565/4885ADAM17 1220/4885

“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.