SCHEMBL2116520

SCHEMBL2116520

COc1ccc(N2Cc3cccc(C(=O)O)c3C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 12/20 1.00
TDP1 Q9NUW8 7/20 1.00
RECQL P46063 4/20 1.00
BLM P54132 4/20 1.00
HSD17B10 Q99714 4/20 1.00
APEX1 P27695 3/20 1.00
KDM4E B2RXH2 3/20 1.00
ESR1 P03372 2/20 1.00
MCL1 Q07820 2/20 1.00
ESR2 Q92731 2/20 1.00
NR4A1 P22736 1/20 1.00
PTPN7 P35236 1/20 1.00
TP53 P04637 4/20 0.66
MAPT P10636 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.64
ALOX15 P16050 4/20 0.62
PABPC1 P11940 3/20 0.62
EIF4H Q15056 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
DNMT1 P26358 1/20 0.62

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
SCHEMBL4728317 0.85 POLB (0.73) POLBTDP1RECQLBLMHSD17B10
SCHEMBL16907880 0.83 POLB (0.70) POLBTDP1RECQLBLMHSD17B10
SCHEMBL19662992 0.81 POLB (0.68) POLBTDP1RECQLBLMHSD17B10
SCHEMBL22129205 0.80 POLB (0.66) POLBTDP1RECQLBLMHSD17B10
SCHEMBL17207997 0.79 KDM4E (0.65) POLBTDP1RECQLBLMHSD17B10
SCHEMBL16907925 0.79 POLB (0.65) POLBTDP1RECQLBLMHSD17B10
SCHEMBL24367842 0.78 POLB (0.64) POLBTDP1RECQLBLMHSD17B10
SCHEMBL21237318 0.78 POLB (0.64) POLBTDP1RECQLBLMHSD17B10
SCHEMBL835316 0.78 PARP1 (0.79) POLBTDP1RECQLBLMHSD17B10
SCHEMBL1468153 0.78 POLB (0.64) POLBTDP1RECQLBLMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US claimed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM POLB 819/4885TDP1 1293/4885RECQL 269/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD POLB 1539/4885TDP1 2043/4885RECQL 3059/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM POLB 819/4885TDP1 1293/4885RECQL 269/4885

“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.