SCHEMBL4824941

SCHEMBL4824941

O=C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.82
ALDH1A1 P00352 4/20 0.74
MAPK1 P28482 1/20 0.74
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
HPGD P15428 4/20 0.61
MAPT P10636 2/20 0.61
PKM P14618 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CTNNB1 P35222 1/20 0.59

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
SCHEMBL7475049 0.91 SRD5A2 (0.75) SRD5A2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL7816239 0.91 SRD5A2 (0.81) SRD5A2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL18546949 0.89 SRD5A2 (0.73) SRD5A2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL4824992 0.87 NPSR1 (0.74) SRD5A2MAPK1NPC1RAB9AHPGD
SCHEMBL2601929 0.87 ALDH1A1 (0.74) SRD5A2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL10534958 0.86 SRD5A2 (0.64) SRD5A2ALDH1A1MAPK1KMT2AMEN1
Piperonylic Acid SCHEMBL142318 0.85 ALDH1A1 (1.00) SRD5A2ALDH1A1MAPK1KMT2AMEN1
Piperonylic Acid SCHEMBL3946119 0.85 ALDH1A1 (1.00) SRD5A2ALDH1A1MAPK1KMT2AMEN1
Piperonylic Acid SCHEMBL31119409 0.85 ALDH1A1 (1.00) SRD5A2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL408967 0.85 ALDH1A1 (0.71) SRD5A2ALDH1A1MAPK1KMT2AMEN1

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 19 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-104910029-B 4-amino-3-acyl group-beta naphthal compounds and its production and use 苏州大学 2016-08-31 CN disclosed
CN-104910029-A 4-amino-3-acyl-2-naphthol compound as well as preparation method and purpose thereof UNIV SOOCHOW 2015-09-16 CN disclosed
CN-1393446-B Fused pyrazole compound YUNG SHIN PHARM IND CO LTD 2010-06-16 CN disclosed
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
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
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
CN-1393446-A Fused pyrazole compound YONGXIN PHARMACEUTICAL CO LTD (CN) 2003-01-29 CN disclosed
US-6465472-B1 SUCH AS 1-(2-DIETHYLAMINOETHYL)-6,7-METHYLENEDIOXY-4-(3,4-METHYLENE -DIOXYPHENYL)QUINAZOLIN-2(1H)-ONE; AMPA IONOTROPIC RECEPTOR ANTAGONISTS; ANTICONVULSANTS, COGNITIVE ENHANCERS, PREVENTION OF NEURODEGENERATION EURO-CELTIQUE S.A. (LU) 2002-10-15 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 SRD5A2 270/4885ALDH1A1 124/4885MAPK1 3043/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES SRD5A2 270/4885ALDH1A1 124/4885MAPK1 3043/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES SRD5A2 270/4885ALDH1A1 124/4885MAPK1 3043/4885

“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.