SCHEMBL546720

SCHEMBL546720

CCCCCCCCCCCC(=O)c1cc2c(cc1OC)OC(C)(C)CC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.42
BCHE P06276 1/20 0.40
COXFA4 O00483 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PAK1 Q13153 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL546699 1.00 HSP90AA1 (0.42) HSP90AA1BCHECOXFA4CYSLTR2CYSLTR1
SCHEMBL29400720 1.00 HSP90AA1 (0.42) HSP90AA1BCHECOXFA4CYSLTR2CYSLTR1
SCHEMBL11156631 0.80 BCHE (0.44) HSP90AA1BCHECOXFA4CYSLTR2CYSLTR1
SCHEMBL545891 0.78 PDE4B (0.43) BCHECOXFA4CYSLTR2CYSLTR1PDE4D
SCHEMBL18270705 0.77 CTSB (0.46) COXFA4
SCHEMBL546770 0.76 ALDH1A1 (0.48) HSP90AA1COXFA4
SCHEMBL13993752 0.76 PDE10A (0.42) HSP90AA1BCHECOXFA4POLBKMT2A
SCHEMBL577986 0.73 BCHE (0.49) HSP90AA1BCHECOXFA4POLBMAPT
SCHEMBL29401664 0.71 BCHE (0.65) BCHECOXFA4POLBNFKB1NFKB2
SCHEMBL13993749 0.71 COXFA4 (0.46) HSP90AA1BCHECOXFA4POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46228-E1 Pigmentation-regulating compounds LIPOTEC, S.A. (ES) 2016-12-06 US disclosed
EP-2159223-B1 6 -ACYLOXY- 7-METH0XY- 2, 2 -DIMETHYLCHROMANE COMPOUNDS AND THEIR USE AS PIGMENTATION-REGULATORS LIPOTEC SA (ES) 2014-03-12 EP disclosed
US-8110207-B2 Pigmentation-regulating compounds LIPOTEC, S.A. (ES) 2012-02-07 US disclosed
US-20100247587-A1 PIGMENTATION-REGULATING COMPOUNDS LIPOTEC, S.A. (ES) 2010-09-30 US disclosed
EP-2159223-A2 6 -ACYLOXY- 7-METH0XY- 2, 2 -DIMETHYLCHROMANE COMPOUNDS AND THEIR USE AS PIGMENTATION-REGULATORS Lipotec, S.A. (ES) 2010-03-03 EP 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-20100247587-A1 PIGMENTATION-REGULATING COMPOUNDS TYR, MC1R, MITF HSP90AA1 3726/4885BCHE 3631/4885COXFA4 1396/4885

“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.