SCHEMBL1709323

SCHEMBL1709323

CCC(=O)C(CC)Cc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.51
ESR2 Q92731 7/20 0.51
SLC7A5 Q01650 1/20 0.46
TAAR1 Q96RJ0 3/20 0.46
SLC6A2 P23975 1/20 0.46
CYP1A2 P05177 1/20 0.42
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
ACE P12821 4/20 0.41
MME P08473 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PPARG P37231 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
SCHEMBL3876493 0.83 CYP1A2 (0.59) ESR1ESR2SLC7A5CYP1A2ACE
SCHEMBL6379983 0.83 CYP1A2 (0.59) ESR1ESR2SLC7A5CYP1A2ACE
SCHEMBL1709339 0.83 CYP1A2 (0.64) CYP1A2MMECPA1PPARG
SCHEMBL1709283 0.83 CYP1A2 (0.64) CYP1A2MMECPA1PPARG
SCHEMBL3661382 0.83 CYP1A2 (0.59) ESR1ESR2SLC7A5CYP1A2ACE
SCHEMBL11308492 0.81 ESR1 (0.50) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL107523 0.79 ESR1 (0.49) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL106905 0.79 TAAR1 (0.52) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL3662079 0.79 ESR1 (0.61) ESR1ESR2PPARG
SCHEMBL13078733 0.79 ESR1 (0.61) ESR1ESR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO ESR1 3597/4885ESR2 862/4885SLC7A5 3736/4885

“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.