SCHEMBL546770

SCHEMBL546770

CCCCCCCCCCCC(=O)c1cc2c(cc1OC)OC(C)(C)C=C2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HIF1A Q16665 2/20 0.45
EPAS1 Q99814 1/20 0.45
COXFA4 O00483 1/20 0.43
HSP90AA1 P07900 4/20 0.43

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
SCHEMBL10508118 0.78 TLR3 (0.48) HIF1AEPAS1
SCHEMBL29400720 0.76 HSP90AA1 (0.42) COXFA4HSP90AA1
SCHEMBL546720 0.76 HSP90AA1 (0.42) COXFA4HSP90AA1
SCHEMBL546699 0.76 HSP90AA1 (0.42) COXFA4HSP90AA1
SCHEMBL10507493 0.75 TLR3 (0.50) HIF1AEPAS1
SCHEMBL11012720 0.74 TLR3 (0.48) HIF1AEPAS1COXFA4
SCHEMBL545855 0.72 ALDH1A1 (0.54) ALDH1A1CYP3A4HPGDTDP1HIF1A
SCHEMBL6702779 0.71 MEN1 (0.52) ALDH1A1TDP1
SCHEMBL8078006 0.70 GAA (0.67) TDP1
SCHEMBL10510924 0.70 TLR3 (0.53) HIF1AEPAS1

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 ALDH1A1 728/4885CYP3A4 3232/4885HPGD 1229/4885

“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.