SCHEMBL7093486

SCHEMBL7093486

FCC1(CF)Oc2ccc(C(F)(F)F)cc2C(Br)C1Br

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
PNMT P11086 1/20 0.32
TERT O14746 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
SCHEMBL8137939 0.77 CYP1A2 (0.36) CYP1A2CYP2D6CHRNB2CHRNA4CHRNB4
SCHEMBL9753172 0.70 IDO1 (0.36) CYP1A2CYP2D6CHRNB2CHRNA4TERT
SCHEMBL9753173 0.70 IDO1 (0.36) CYP1A2CYP2D6CHRNB2CHRNA4TERT
SCHEMBL9753169 0.70 IDO1 (0.36) CYP1A2CYP2D6CHRNB2CHRNA4TERT
SCHEMBL8136338 0.68
SCHEMBL8137223 0.67 TRPV1 (0.34)
SCHEMBL8137219 0.67 TRPV1 (0.34)
SCHEMBL8137221 0.67 TRPV1 (0.34)
SCHEMBL8136003 0.66 ABCC9 (0.49) CYP1A2CYP2D6TERT
SCHEMBL8135998 0.66 ABCC9 (0.49) CYP1A2CYP2D6TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065189-A1 Processes for producing 4-substituted benzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-03 US disclosed
US-6455708-B1 SUCH AS 2,2-BIS(FLUOROMETHYL)-N-(2-CYANOETHYL)-6-TRIFLUOROMETHYL-2H-1-BENZOPYRAN-4 -CARBOXAMIDE; USEFUL AS MEDICINES, AGRICHEMICALS AND COSMETICS, AND CHEMICAL INTERMEDIATES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-24 US disclosed
EP-1120412-A1 PROCESSES FOR THE PREPARATION OF 4-SUBSTITUTED BENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-08-01 EP 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-20030065189-A1 Processes for producing 4-substituted benzopyran derivatives CYP3A4, PARP14, BTD CYP1A2 51/4885CYP2D6 114/4885CHRNB2 3173/4885

“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.