SCHEMBL17720751

SCHEMBL17720751

O=C(Oc1c(Cc2ccccc2)cccc1-c1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 1/20 0.38
KMT2A Q03164 1/20 0.37
FFAR1 O14842 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL17697655 0.86 FOLH1 (0.40) FOLH1CD274BACE1KMT2AFFAR1
SCHEMBL17697668 0.86 L3MBTL1 (0.43) FOLH1PDCD1CD274SMN1; SMN2BACE1
SCHEMBL17720750 0.86 MRGPRX4 (0.41) FOLH1PDCD1CD274FFAR1L3MBTL1
SCHEMBL17697670 0.85 PTGER1 (0.44) FOLH1KMT2AL3MBTL1LMNAPTGER1
SCHEMBL17720791 0.85 SMN1; SMN2 (0.43) PDCD1CD274SMN1; SMN2FFAR1L3MBTL1
SCHEMBL17720738 0.84 BACE1 (0.46) SMN1; SMN2BACE1KMT2AL3MBTL1LMNA
SCHEMBL17697671 0.84 PTGER4 (0.43) FOLH1BACE1FFAR1LMNAPTGER4
SCHEMBL17697658 0.84 PDE3B (0.44) FOLH1PDCD1CD274SMN1; SMN2LMNA
SCHEMBL17720773 0.83 TSHR (0.42) FOLH1PDCD1CD274SMN1; SMN2BACE1
SCHEMBL17697653 0.82 MRGPRX4 (0.45) PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2016-05-05 US disclosed
US-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2016-05-05 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-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME BMI1, KCNN2, CACNA2D4 FOLH1 3364/4885PDCD1 3492/4885CD274 3240/4885

“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.