SCHEMBL3406867

SCHEMBL3406867

COC(=O)CC1c2cc(O)ccc2CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
OPRM1 P35372 6/20 0.36
OPRK1 P41145 6/20 0.36
OPRD1 P41143 6/20 0.36
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SOD1 P00441 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HSD17B1 P14061 1/20 0.34
EGFR P00533 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3409319 1.00 MIF (0.37) MIFHDAC6MAOAMAOBOPRM1
SCHEMBL3406871 1.00 MIF (0.37) MIFHDAC6MAOAMAOBOPRM1
SCHEMBL3411463 0.86 OPRM1 (0.38) MAOAMAOBOPRM1OPRK1OPRD1
SCHEMBL10203964 0.76 HSD17B1 (0.38) MIFHDAC6OPRM1SOD1HSD17B1
SCHEMBL3413462 0.74 MIF (0.46) MIFHDAC6MAOAMAOBOPRM1
SCHEMBL13047900 0.74 MIF (0.46) MIFHDAC6MAOAMAOBOPRM1
SCHEMBL3411923 0.74 MIF (0.46) MIFHDAC6MAOAMAOBOPRM1
SCHEMBL3412841 0.72 MTNR1A (0.57) MIFMAOAMAOBNQO2MTNR1A
SCHEMBL3407380 0.72 MTNR1A (0.57) MIFMAOAMAOBNQO2MTNR1A
SCHEMBL3407376 0.72 MTNR1A (0.57) MIFMAOAMAOBNQO2MTNR1A

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-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
EP-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO 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-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS MIF 3778/4885HDAC6 671/4885MAOA 1014/4885

“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.