SCHEMBL4824992

SCHEMBL4824992

O=C(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.74
MAPT P10636 1/20 0.74
TSHR P16473 3/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
KDM4E B2RXH2 4/20 0.65
SRD5A2 P31213 1/20 0.65
ATM Q13315 1/20 0.65
HPGD P15428 2/20 0.61
PKM P14618 1/20 0.61
CTNNB1 P35222 3/20 0.59
RECQL P46063 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
WNT3A P56704 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL26499247 0.91 NPSR1 (0.90) NPSR1MAPTTSHRNPC1RAB9A
SCHEMBL6132031 0.91 NPSR1 (0.90) NPSR1MAPTTSHRNPC1RAB9A
SCHEMBL26499244 0.89 NPSR1 (0.88) NPSR1MAPTTSHRNPC1RAB9A
SCHEMBL6658798 0.89 MAPT (0.67) NPSR1MAPTTSHRNPC1RAB9A
SCHEMBL31164296 0.89 MAPT (0.67) NPSR1MAPTTSHRNPC1RAB9A
SCHEMBL28128979 0.88 CTNNB1 (0.70) NPSR1MAPTTSHRNPC1RAB9A
SCHEMBL4824941 0.87 SRD5A2 (0.82) NPSR1MAPTNPC1RAB9ASRD5A2
SCHEMBL619634 0.85 MAPK1 (0.78) NPSR1MAPTTSHRNPC1RAB9A
SCHEMBL4825307 0.85 RAB9A (0.64) NPSR1MAPTTSHRNPC1RAB9A
SCHEMBL26499261 0.85 MAPT (0.75) NPSR1MAPTTSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100482651-C Diaminothiazoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN claimed
CN-1487927-A Diaminothiazoles - 2004-04-07 CN claimed
CN-100482651-C Diaminothiazoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
US-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 US disclosed
US-20080114061-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2008-05-15 US disclosed
US-7312241-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2007-12-25 US disclosed
CN-101056846-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
EP-1603864-A4 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORP (US) 2007-04-11 EP disclosed
CN-1780811-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2006-05-31 CN disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
EP-1603864-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2005-12-14 EP disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 US disclosed
US-20050014727-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-01-20 US disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 WO disclosed
CN-1487927-A Diaminothiazoles - 2004-04-07 CN 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 NPSR1 3486/4885MAPT 2161/4885TSHR 4476/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES NPSR1 3486/4885MAPT 2161/4885TSHR 4476/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES NPSR1 3486/4885MAPT 2161/4885TSHR 4476/4885

“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.