SCHEMBL6325209

SCHEMBL6325209

CCOC(=O)CCC1CC1c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
ALDH1A1 P00352 6/20 0.45
GAA P10253 5/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
KDM1A O60341 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KLK7 P49862 1/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL6318787 0.86 ALDH1A1 (0.43) HTR2CALDH1A1GAALMNAKDM4E
SCHEMBL15797925 0.86 HTR2C (0.54) HTR2CALDH1A1GAALMNAKDM4E
SCHEMBL2437089 0.86 HTR2C (0.54) HTR2CALDH1A1GAALMNAKDM4E
SCHEMBL6319831 0.85 HTR2A (0.56) HTR2CALDH1A1LMNAKDM4ETSHR
SCHEMBL6250305 0.79 HTR2C (0.63) HTR2CKDM1AMAOAMAOBNPC1
SCHEMBL6227343 0.78 HTR2C (0.61) HTR2CALDH1A1GAALMNAKDM4E
SCHEMBL6227345 0.78 HTR2C (0.61) HTR2CALDH1A1GAALMNAKDM4E
SCHEMBL10636760 0.78 GAA (0.46) ALDH1A1GAALMNAKDM4EHPGD
SCHEMBL15805099 0.77 ALDH1A1 (0.51) HTR2CALDH1A1GAALMNAKDM4E
SCHEMBL15978551 0.77 ALDH1A1 (0.51) HTR2CALDH1A1GAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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 (1 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 HTR2C 2450/4885ALDH1A1 666/4885GAA 2476/4885

“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.