SCHEMBL6155296

SCHEMBL6155296

O=Cc1cccc(Oc2ccc(OC(=O)c3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
AKR1C3 P42330 1/20 0.51
KMT2A Q03164 8/20 0.51
MAPT P10636 7/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 3/20 0.49
MEN1 O00255 2/20 0.49
PARP10 Q53GL7 1/20 0.49
UNG P13051 1/20 0.49
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX5 P09917 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CASP3 P42574 1/20 0.46

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
SCHEMBL6248331 0.90 ALDH1A1 (0.63) ALDH1A1POLBKMT2AMAPTRAB9A
SCHEMBL17758430 0.86 UNG (0.61) ALDH1A1POLBKMT2AMAPTRAB9A
SCHEMBL11220393 0.85 SRD5A2 (0.58) POLBAKR1C3KMT2AMEN1PARP10
SCHEMBL17130025 0.85 PARP10 (0.58) ALDH1A1KMT2AMAPTRAB9ATDP1
SCHEMBL11222905 0.84 MAOB (0.59) ALDH1A1AKR1C3KMT2AMAPTRAB9A
SCHEMBL11208890 0.83 AKR1C3 (0.64) ALDH1A1POLBAKR1C3KMT2AMAPT
SCHEMBL11215809 0.83 AKR1C3 (0.68) ALDH1A1AKR1C3KMT2AMAPTTDP1
SCHEMBL12835734 0.83 TTR (0.49) ALDH1A1POLBKMT2AMAPTRAB9A
SCHEMBL98478 0.83 MAOB (0.61) ALDH1A1AKR1C3KMT2AMAPTRAB9A
SCHEMBL11149811 0.83 PARP10 (0.67) ALDH1A1AKR1C3KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP ALDH1A1 961/4885POLB 3621/4885AKR1C3 4447/4885

“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.