SCHEMBL3750778

SCHEMBL3750778

CC(=O)C[C@H]1CCc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
PPARD Q03181 2/20 0.49
MTNR1A P48039 5/20 0.48
MAOB P27338 3/20 0.48
HRH3 Q9Y5N1 2/20 0.47
NQO2 P16083 4/20 0.47
MTNR1B P49286 4/20 0.47
FAAH O00519 2/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL3412786 1.00 FFAR1 (0.53) FFAR1PPARDMTNR1AMAOBHRH3
SCHEMBL3410356 0.88 FFAR1 (0.52) FFAR1PPARDMTNR1AMAOBNQO2
SCHEMBL3410358 0.88 FFAR1 (0.52) FFAR1PPARDMTNR1AMAOBNQO2
SCHEMBL3413435 0.88 FFAR1 (0.52) FFAR1PPARDMTNR1AMAOBNQO2
SCHEMBL12394485 0.81 MTNR1A (0.70) MTNR1ANQO2MTNR1B
SCHEMBL3962234 0.81 PPARD (0.74) FFAR1PPARD
SCHEMBL3965769 0.81 PPARD (0.74) FFAR1PPARD
SCHEMBL3962238 0.81 PPARD (0.74) FFAR1PPARD
SCHEMBL1746574 0.78 HRH3 (0.53) MAOBHRH3KDM1AMAOA
SCHEMBL3412521 0.78 PPARG (0.49) MAOBHRH3FAAHKDM1AMAOA

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-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 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-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS FFAR1 171/4885PPARD 159/4885MTNR1A 673/4885

“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.