SCHEMBL681885

SCHEMBL681885

COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)C1c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2C9 P11712 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
ANXA2 P07355 1/20 0.46
S100A10 P60903 1/20 0.46
HTT P42858 3/20 0.46
ALOX15 P16050 6/20 0.45
FPR1 P21462 5/20 0.45
HIF1A Q16665 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL18177329 0.91 CYP2C9 (0.52) ALDH1A1KDM4EHPGDTDP1CYP2C9
SCHEMBL2234193 0.82 ANXA2 (0.67) ALDH1A1KDM4EHPGDTDP1CYP2C9
SCHEMBL2233839 0.77 ANXA2 (0.68) ALDH1A1KDM4EHPGDTDP1CYP2C9
SCHEMBL12668751 0.75 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2MAPTRXFP1
SCHEMBL13927439 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTDP1CYP2C9
SCHEMBL11805654 0.72 CYP1A2 (0.61) ALDH1A1HPGDCYP2C9SMN1; SMN2GAA
SCHEMBL12259135 0.72 SMN1; SMN2 (0.60) ALDH1A1HPGDCYP2C9SMN1; SMN2TP53
SCHEMBL1897477 0.71 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1MAPTRXFP1
SCHEMBL18219843 0.71 TSHR (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL16500230 0.71 KDM4E (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT

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 ALDH1A1 174/4885KDM4E 3388/4885HPGD 29/4885
US-20110275584-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS MMP1, MMP11, HSD11B2 ALDH1A1 248/4885KDM4E 2532/4885HPGD 48/4885
US-20100087413-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss MMP1, HSD11B1, HSD11B2 ALDH1A1 241/4885KDM4E 2388/4885HPGD 46/4885

“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.