SCHEMBL546060

SCHEMBL546060

CCCCCCCOc1cc2c(cc1OC)OC(C)(C)C=C2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.48
HIF1A Q16665 3/20 0.45
EPAS1 Q99814 3/20 0.45

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 1.00 TLR3 (0.48) TLR3HIF1AEPAS1
SCHEMBL10507493 0.95 TLR3 (0.50) TLR3HIF1AEPAS1
SCHEMBL10508060 0.91 TLR3 (0.51) TLR3HIF1AEPAS1
SCHEMBL119216 0.85 TLR3 (0.53) TLR3HIF1AEPAS1
Prococene Ii SCHEMBL1070896 0.85 TLR3 (0.53) TLR3HIF1AEPAS1
SCHEMBL10510924 0.85 TLR3 (0.53) TLR3HIF1AEPAS1
SCHEMBL10508738 0.80 TLR3 (0.49) TLR3HIF1AEPAS1
SCHEMBL10742529 0.78 TLR3 (0.58) TLR3
SCHEMBL546770 0.78 ALDH1A1 (0.48) HIF1AEPAS1
SCHEMBL10507725 0.77 TLR3 (0.64) TLR3HIF1AEPAS1

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 TLR3 4450/4885HIF1A 1256/4885EPAS1 610/4885

“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.