SCHEMBL4823544

SCHEMBL4823544

COc1ccc(C(=O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
SRD5A2 P31213 1/20 0.67
MAPT P10636 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 4/20 0.61
ALOX12 P18054 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
CTNNB1 P35222 1/20 0.59
WNT3A P56704 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL4825307 0.91 RAB9A (0.64) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8301109 0.90 RAB9A (0.61) RAB9ANPC1SRD5A2MAPTSMN1; SMN2
SCHEMBL4821161 0.89 CTNNB1 (0.61) RAB9ANPC1SRD5A2MAPTSMN1; SMN2
SCHEMBL4823371 0.87 CTNNB1 (0.78) RAB9ANPC1SRD5A2MAPTSMN1; SMN2
SCHEMBL4824941 0.85 SRD5A2 (0.82) RAB9ANPC1SRD5A2MAPTSMN1; SMN2
SCHEMBL26624014 0.84 KMT2A (0.72) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL15979976 0.84 CTNNB1 (0.78) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5072119 0.83 KMT2A (0.69) RAB9ANPC1SRD5A2MAPTSMN1; SMN2
SCHEMBL5823399 0.82 CTNNB1 (0.57) RAB9ANPC1SRD5A2MAPTSMN1; SMN2
SCHEMBL4841835 0.82 SRD5A2 (0.56) RAB9ANPC1SRD5A2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119433-A1 SYNTHESIS OF BIARYL KETONES AND BIARYL DIKETONES VIA CARBONYLATIVE SUZUKI-MIYAURA COUPLING REACTIONS CATALYZED BY BRIDGED BIS(N-HETEROCYCLIC CARBENE)PALLADIUM(II) CATALYSTS KING FAHD UNIVERSITY OF PETROLEUM & MINERALS (SA) 2022-04-21 US disclosed
US-11192912-B1 Synthesis of biaryl ketones and biaryl diketones via carbonylative Suzuki-Miyaura coupling reactions catalyzed by bridged bis(N-heterocyclic carbene)palladium(II) catalysts KING FAHD UNIVERSITY OF PETROLEUM & MINERALS (SA) 2021-12-07 US disclosed
US-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 US disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 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 (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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES RAB9A 4576/4885NPC1 789/4885SRD5A2 270/4885
US-11192912-B1 Synthesis of biaryl ketones and biaryl diketones via carbonylative Suzuki-Miyaura coupling reactions catalyzed by bridged bis(N-heterocyclic carbene)palladium(II) catalysts PDK2, PDK3, BCKDK RAB9A 2099/4885NPC1 3871/4885SRD5A2 1927/4885
US-20220119433-A1 SYNTHESIS OF BIARYL KETONES AND BIARYL DIKETONES VIA CARBONYLATIVE SUZUKI-MIYAURA COUPLING REACTIONS CATALYZED BY BRIDGED BIS(N-HETEROCYCLIC CARBENE)PALLADIUM(II) CATALYSTS PDK2, PDK3, BCKDK RAB9A 2099/4885NPC1 3871/4885SRD5A2 1927/4885

“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.