SCHEMBL5861135

SCHEMBL5861135

COC(=O)c1cccc(-c2cccc(C=O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.65
TRIM24 O15164 1/20 0.55
TRIM33 Q9UPN9 1/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ALDH1A1 P00352 1/20 0.54
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
CDK8 P49336 1/20 0.50
UNG P13051 1/20 0.50
PLAU P00749 1/20 0.50
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
P4HB P07237 2/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49

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
SCHEMBL31013334 1.00 ERN1 (0.65) ERN1TRIM24TRIM33CA12CA9
SCHEMBL29929690 0.92 ERN1 (0.63) ERN1TRIM24TRIM33CA12CA9
SCHEMBL29677467 0.90 ALDH1A1 (0.61) ERN1ALDH1A1UNGHCRTR1HCRTR2
SCHEMBL47068 0.90 ALDH1A1 (0.61) ERN1ALDH1A1UNGHCRTR1HCRTR2
SCHEMBL4887726 0.89 ERN1 (0.68) ERN1TRIM24TRIM33CA12CA9
SCHEMBL881425 0.89 TRIM24 (0.67) ERN1TRIM24TRIM33CA12CA9
SCHEMBL67941 0.86 CA12 (0.68) ERN1CA12CA9CA1CA2
SCHEMBL13982253 0.86 ERN1 (0.62) ERN1CA12CA9CA1CA2
SCHEMBL13554035 0.84 ERN1 (0.55) ERN1CA12CA9CA1CA2
SCHEMBL27715902 0.84 CA12 (0.71) ERN1CA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4424718-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, POLYMER COMPOSITION, CROSSLINKED PRODUCT, TIRE, AND COMPOUND ENEOS Materials Corporation (JP) 2024-09-04 EP disclosed
WO-2023074773-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, POLYMER COMPOSITION, CROSSLINKED PRODUCT, TIRE, AND COMPOUND 株式会社ENEOSマテリアル 2023-05-04 WO disclosed
EP-2986607-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-06-14 EP disclosed
US-9527867-B2 Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-12-27 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160075722-A1 Antibacterial Biaromatic Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-17 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-7091247-B2 Biphenyl compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-15 US disclosed
US-20040106792-A1 Biphenyl compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 US disclosed
EP-1295867-A1 BIPHENYL COMPOUND Takeda Chemical Industries, Ltd. (JP) 2003-03-26 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 (3 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-20040106792-A1 Biphenyl compound GPR4, GPR139, GPR142 ERN1 4532/4885TRIM24 1347/4885TRIM33 3690/4885
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ERN1 2290/4885TRIM24 3853/4885TRIM33 3192/4885
US-20160075722-A1 Antibacterial Biaromatic Derivatives CYC1, C5, CYCS ERN1 480/4885TRIM24 3412/4885TRIM33 3252/4885

“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.