SCHEMBL10312505

SCHEMBL10312505

Cc1ccc2cc(/C=C/C(=O)OC(C)(C)C)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
CNR2 P34972 1/20 0.42
TTR P02766 2/20 0.41
DPP4 P27487 1/20 0.41
APP P05067 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
NR1H4 Q96RI1 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL4060087 0.92 ESR1 (0.49) ESR1TTRDPP4APPKMT2A
SCHEMBL4060081 0.92 ESR1 (0.49) ESR1TTRDPP4APPKMT2A
SCHEMBL5396213 0.87 PPARA (0.51) CNR2APPKMT2AMEN1MAPT
SCHEMBL5396218 0.87 PPARA (0.51) CNR2APPKMT2AMEN1MAPT
SCHEMBL4548370 0.85 ESR1 (0.59) ESR1KMT2AMEN1MAPTMAOB
SCHEMBL1399888 0.85 ESR1 (0.59) ESR1KMT2AMEN1MAPTMAOB
SCHEMBL7693884 0.84 MAPT (0.53) ESR1KMT2AMAPTALDH1A1MAOB
SCHEMBL799522 0.84 MAPT (0.53) ESR1KMT2AMAPTALDH1A1MAOB
SCHEMBL30628952 0.84 PTPN1 (0.48) ESR1TTRAPPKMT2AMEN1
SCHEMBL26750709 0.84 PTPN1 (0.48) ESR1TTRAPPKMT2AMEN1

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-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF PROMEGA CORPORATION 2023-11-09 US disclosed
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 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 (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-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF BTD, HLCS, TYR ESR1 262/4885CNR2 3196/4885TTR 968/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 ESR1 1001/4885CNR2 52/4885TTR 1869/4885

“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.