SCHEMBL2947754

SCHEMBL2947754

C=CCOC1CCC(NC(=O)C(C)c2ccc(Cl)cc2C)(C(=O)OCC)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
LMNA P02545 2/20 0.32
EPHX2 P34913 1/20 0.32
MMP1 P03956 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2525180 0.84 NPSR1 (0.36) KMT2ASMN1; SMN2MAPTATMTDP1
SCHEMBL3732991 0.83 ALDH1A1 (0.32) KMT2ASMN1; SMN2MAPTATMTDP1
SCHEMBL6290176 0.82 MEN1 (0.35) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL4501238 0.79 ALDH1A1 (0.35) KMT2ASMN1; SMN2MAPTATMTDP1
SCHEMBL2947752 0.79 EPHX2 (0.34) EPHX2
SCHEMBL728293 0.75 ALDH1A1 (0.34) KMT2ASMN1; SMN2MAPTATMTDP1
SCHEMBL2433660 0.72 TSHR (0.36) KMT2ASMN1; SMN2MAPTTDP1MEN1
SCHEMBL1153522 0.72 MEN1 (0.39) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL16463001 0.70 OPRM1 (0.36) KMT2ASMN1; SMN2MAPTMEN1TSHR
SCHEMBL30754254 0.68 TSHR (0.46) KMT2ASMN1; SMN2MAPTATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314254-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2012-11-20 US disclosed
US-20100234229-A1 Substituted Spirocyclic Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-09-16 US disclosed
US-7754654-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-07-13 US disclosed
US-20070275858-A1 SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-11-29 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 (2 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-20070275858-A1 SUBSTITUTED SPIROCYCLIC KETOENOLS PDHX, CYP19A1, AKR1A1 KMT2A 1581/4885SMN1; SMN2 4513/4885MAPT 4691/4885
US-20100234229-A1 Substituted Spirocyclic Ketoenols HSD17B7, CYP17A1, HSD17B11 KMT2A 2230/4885SMN1; SMN2 4555/4885MAPT 4651/4885

“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.