SCHEMBL681883

SCHEMBL681883

NC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc2c1CCCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 1.00
TDP1 Q9NUW8 4/20 1.00
CASP6 P55212 1/20 1.00
CHD1L Q86WJ1 1/20 0.76
PARP9 Q8IXQ6 1/20 0.76
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
ALDH1A1 P00352 7/20 0.67
HPGD P15428 5/20 0.67
LMNA P02545 2/20 0.67
FLT3 P36888 3/20 0.62
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
FABP4 P15090 2/20 0.58
FABP5 Q01469 2/20 0.58
MDM2 Q00987 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL20353975 0.87 POLB (0.78) POLBTDP1CASP6CHD1LPARP9
SCHEMBL29403771 0.82 ALDH1A1 (0.69) POLBTDP1CASP6MEN1KMT2A
SCHEMBL21571475 0.80 POLB (0.67) POLBTDP1CASP6CHD1LPARP9
SCHEMBL5461038 0.79 FLT3 (0.70) POLBTDP1CASP6MEN1KMT2A
SCHEMBL8288845 0.79 FLT3 (0.97) POLBTDP1CASP6MEN1KMT2A
SCHEMBL5455726 0.79 FLT3 (0.97) POLBTDP1CASP6MEN1KMT2A
SCHEMBL21571479 0.78 POLB (0.64) POLBTDP1CASP6CHD1LPARP9
SCHEMBL8288684 0.78 FLT3 (0.90) POLBTDP1CASP6MEN1KMT2A
SCHEMBL3126680 0.78 FLT3 (0.90) POLBTDP1CASP6MEN1KMT2A
SCHEMBL8290415 0.78 FLT3 (0.90) POLBTDP1CASP6MEN1KMT2A

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-20110275584-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS ONEPHARM RESEARCH AND DEVELOPMENT GMBH (AT) 2011-11-10 US disclosed
US-20110275584-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS ONEPHARM RESEARCH AND DEVELOPMENT GMBH (AT) 2011-11-10 US disclosed
US-20100087413-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss ONEPHARM RESEARCH AND DEVELOPMENT GMBH (AT) 2010-04-08 US disclosed
US-20100087413-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss ONEPHARM RESEARCH AND DEVELOPMENT GMBH (AT) 2010-04-08 US disclosed
US-20080153791-A1 11Beta -Hydroxysteroid Dehydrogenases ONPHARM GMBH (CH) 2008-06-26 US disclosed
US-20080153791-A1 11Beta -Hydroxysteroid Dehydrogenases ONPHARM GMBH (CH) 2008-06-26 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-20080153791-A1 11Beta -Hydroxysteroid Dehydrogenases HSD11B1, HSD11B2, HSD17B1 POLB 1443/4885TDP1 1294/4885CASP6 3420/4885
US-20110275584-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS MMP1, MMP11, HSD11B2 POLB 3117/4885TDP1 2241/4885CASP6 673/4885
US-20100087413-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss MMP1, HSD11B1, HSD11B2 POLB 3035/4885TDP1 2161/4885CASP6 749/4885

“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.