SCHEMBL829965

SCHEMBL829965

CCC(C(=O)O)C1CCCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.45
PPARG P37231 11/20 0.43
ECE1 P42892 5/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL8298173 0.90 PPARA (0.53) PPARAPPARG
SCHEMBL2406499 0.83 HTT (0.45) ECE1ALDH1A1HTT
SCHEMBL5790096 0.83 ESR1 (0.51) PPARAPPARG
SCHEMBL8802816 0.82 TSHR (0.50) ECE1ALDH1A1HTT
SCHEMBL11073296 0.80 ECE1 (0.45) ECE1ALDH1A1HTT
SCHEMBL23934473 0.79 CYP2D6 (0.47) ALDH1A1HTT
SCHEMBL5788377 0.78 ESR1 (0.52) PPARAPPARG
SCHEMBL2993631 0.77 HTT (0.46) ALDH1A1HTT
SCHEMBL12805376 0.76 MTNR1B (0.51) PPARAPPARG
SCHEMBL7956197 0.75 CYP1A2 (0.53) PPARAPPARGECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG PPARA 81/4885PPARG 11/4885ECE1 2995/4885
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 PPARA 322/4885PPARG 98/4885ECE1 2178/4885

“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.