SCHEMBL7091070

SCHEMBL7091070

CCCNC(=O)C1=CC(CF)(CF)Oc2ccc(C(F)(F)F)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.38
PDK2 Q15119 1/20 0.36
TRPA1 O75762 4/20 0.35
CYP1A2 P05177 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
P2RY14 Q15391 1/20 0.34
TP53BP1 Q12888 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8312959 0.86 KDM4E (0.35) ALDH1A1POLBHTTCYP1A2LMNA
SCHEMBL6269204 0.86 SCN9A (0.34) ALDH1A1POLBLMNANPC1RAB9A
SCHEMBL7094132 0.82 CFTR (0.41) ALDH1A1KMT2AHTTCYP1A2MRGPRX4
SCHEMBL7093856 0.81 PTGDR2 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL6270480 0.81 PTGS1 (0.38) ALDH1A1
SCHEMBL6557433 0.80 ALDH1A1 (0.33) ALDH1A1KMT2AMRGPRX4
SCHEMBL6557451 0.80 PTGDR2 (0.33) ALDH1A1
SCHEMBL6268789 0.80 HIF1A (0.36) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL7093484 0.80 LMNA (0.33) MEN1KMT2AHTTLMNA
SCHEMBL6260243 0.79 SCN9A (0.30)

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 ALDH1A1 1038/4885POLB 938/4885MEN1 2904/4885

“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.