SCHEMBL7094037

SCHEMBL7094037

OC(C#Cc1cc(C(F)(F)F)ccc1Cl)(CF)CF

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
PDE2A O00408 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.34
ALDH1A1 P00352 5/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 1/20 0.34
MCL1 Q07820 1/20 0.33
AR P10275 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL5545019 0.81 PTGDR2 (0.40) PTGDR2PDE2AMRGPRX4ALDH1A1MEN1
SCHEMBL78780 0.76 ALDH1A1 (0.51) PTGDR2PDE2AMRGPRX4ALDH1A1HDAC1
SCHEMBL3253124 0.73 PDE2A (0.41) PTGDR2PDE2AALDH1A1MEN1KMT2A
SCHEMBL1922380 0.70 PTGDR2 (0.50) PTGDR2MRGPRX4ALDH1A1MEN1KMT2A
SCHEMBL4367917 0.70 PDE2A (0.39) PTGDR2PDE2AMRGPRX4ALDH1A1MEN1
SCHEMBL2515789 0.70 PTGDR2 (0.43) PTGDR2PDE2AMRGPRX4ALDH1A1HDAC1
SCHEMBL384969 0.70 AR (0.47) PTGDR2PDE2AMRGPRX4ALDH1A1HTT
SCHEMBL16951053 0.70 PDE2A (0.41) PTGDR2PDE2AALDH1A1MEN1KMT2A
SCHEMBL29837271 0.70 AR (0.47) PTGDR2PDE2AMRGPRX4ALDH1A1HTT
SCHEMBL2651995 0.70 PTGDR2 (0.43) PTGDR2PDE2AMRGPRX4ALDH1A1MEN1

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 PTGDR2 4316/4885PDE2A 4271/4885MRGPRX4 2335/4885

“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.