SCHEMBL7091142

SCHEMBL7091142

FCC1(CF)C=Cc2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
XDH P47989 1/20 0.35
HTR2C P28335 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL8129776 0.85 PTGS1 (0.32) PTGS1PTGS2XDHHTR2C
SCHEMBL8130347 0.78 PTGS1 (0.36) PTGS1PTGS2XDHHTR2C
SCHEMBL7766906 0.78 ALDH1A1 (0.42) CA12CA9PTGS1PTGS2XDH
SCHEMBL7090383 0.70 OPRD1 (0.32)
SCHEMBL6270484 0.69 PTGS1 (0.40) CA12CA9PTGS1PTGS2XDH
SCHEMBL7093857 0.66 CHRM1 (0.33) PTGS1PTGS2
SCHEMBL6268792 0.66 GAA (0.36) PTGS1PTGS2CYP1A2
SCHEMBL6649598 0.66 ALDH1A1 (0.40) CA12CA9PTGS1PTGS2XDH
SCHEMBL6557433 0.65 ALDH1A1 (0.33) PTGS1PTGS2
SCHEMBL6557451 0.65 PTGDR2 (0.33) PTGS1PTGS2

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 8 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
EP-0655448-B1 BENZOPYRAN AND BENZOXAZINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-04-12 EP disclosed
US-5977167-A Benzopyran and benzoxazine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
US-5874446-A ANTIASTHMATICS, ANTIEPILEPSY AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-02-23 US disclosed
US-5614633-A POTASSIUM CHANNEL ACTIVATOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-03-25 US disclosed
EP-0655448-A1 BENZOPYRAN AND BENZOXAZINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-31 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 CA12 2588/4885CA9 1548/4885PTGS1 3777/4885

“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.