SCHEMBL682096

SCHEMBL682096

CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)C2c2cccnc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55
RXFP1 Q9HBX9 7/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 5/20 0.48
FPR1 P21462 3/20 0.48
CYP2C9 P11712 1/20 0.46
PPARG P37231 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL1897714 0.79 KDM4E (0.66) KMT2AMEN1CYP3A4RXFP1ALDH1A1
SCHEMBL18963022 0.77 ALDH1A1 (0.57) RXFP1ALDH1A1NPSR1FPR1PPARG
SCHEMBL19463211 0.66 ALDH1A1 (0.82) SMN1; SMN2KMT2AMEN1CYP3A4RXFP1
SCHEMBL11573931 0.66 LMNA (0.57) KMT2ATP53MAPK1LMNATSHR
SCHEMBL30774074 0.64 ALOX15 (0.63) RXFP1ALDH1A1NPSR1PPARGNCOR2
SCHEMBL17919809 0.63 THRA (0.59) TP53MAPK1LMNATSHR
SCHEMBL11987159 0.62 LMNA (0.63) SMN1; SMN2KMT2AMEN1POLBALDH1A1
SCHEMBL2234193 0.62 ANXA2 (0.67) SMN1; SMN2HTTKMT2AMEN1RXFP1
SCHEMBL3719137 0.62 ALOX15 (0.58) HTTKMT2AMEN1RXFP1POLB
SCHEMBL13164008 0.62 THRB (0.56) ALDH1A1TP53MAPTTSHR

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 5 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-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 SMN1; SMN2 4224/4885HTT 2490/4885KMT2A 4363/4885
US-20110275584-A1 PREVENTION AND TREATMENT OF INFLAMMATION-INDUCED AND/OR IMMUNE-MEDIATED BONE LOSS MMP1, MMP11, HSD11B2 SMN1; SMN2 3706/4885HTT 3339/4885KMT2A 2945/4885
US-20100087413-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss MMP1, HSD11B1, HSD11B2 SMN1; SMN2 3735/4885HTT 3290/4885KMT2A 2876/4885

“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.