SCHEMBL4322746

SCHEMBL4322746

O=C(O)c1ccccc1C(=O)Oc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 4/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 3/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
PTGS2 P35354 2/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL4126607 0.88 HPGD (0.58) ALDH1A1HSD17B10HPGDALOX15CA12
SCHEMBL17986292 0.85 CA12 (0.51) ALDH1A1CA12CA1CA2CA4
SCHEMBL17986150 0.83 MAPT (0.55) ALDH1A1HSD17B10HPGDTP53PTGS2
SCHEMBL17986146 0.83 KMT2A (0.52) ALDH1A1HSD17B10HPGDALOX15CA12
SCHEMBL29454034 0.82 PTGS2 (0.64) ALDH1A1HSD17B10HPGDCA12CA1
SCHEMBL4138781 0.82 PTGS2 (0.64) ALDH1A1HSD17B10HPGDCA12CA1
SCHEMBL16599001 0.82 CA12 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL14010479 0.81 KDM4E (0.49) ALDH1A1HSD17B10HPGDKDM4EPTGS2
SCHEMBL7127665 0.80 KDM4E (0.51) ALDH1A1HSD17B10HPGDCA12CA1
SCHEMBL10783424 0.79 HSD17B10 (0.62) ALDH1A1HSD17B10HPGDALOX15KDM4E

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-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
EP-1709155-A4 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2007-10-31 EP disclosed
EP-1709155-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF Kashfi, Khosrow (US) 2006-10-11 EP disclosed
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CONVERSANT INTELLECTUAL PROPERTY MANAGEMENT INC. (CA) 2005-08-18 US disclosed
WO-2005065361-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2005-07-21 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-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof PYGL, TP53, MKI67 ALDH1A1 565/4885HSD17B10 1234/4885HPGD 28/4885

“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.