SCHEMBL545891

SCHEMBL545891

CCCCCCCOc1cc2c(cc1OC)OC(C)(C)CC2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
PDE4D Q08499 2/20 0.42
PDE10A Q9Y233 1/20 0.41
BCHE P06276 1/20 0.41
COXFA4 O00483 1/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
OPRM1 P35372 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL577986 0.84 BCHE (0.49) PDE4DPDE10ABCHECOXFA4MALT1
SCHEMBL546699 0.78 HSP90AA1 (0.42) PDE4DBCHECOXFA4CYSLTR2CYSLTR1
SCHEMBL546720 0.78 HSP90AA1 (0.42) PDE4DBCHECOXFA4CYSLTR2CYSLTR1
SCHEMBL13993758 0.75 BCHE (0.44) PDE4DPDE10ABCHECOXFA4MALT1
SCHEMBL13993749 0.73 COXFA4 (0.46) PDE4DPDE10ABCHECOXFA4MALT1
SCHEMBL13993755 0.73 COXFA4 (0.48) PDE4DPDE10ABCHECOXFA4MALT1
SCHEMBL546729 0.73 BCHE (0.65) PDE4DPDE10ABCHECOXFA4OPRM1
SCHEMBL7994834 0.72 SMPD1 (0.54) PDE4BHTR2A
SCHEMBL13993759 0.72 BCHE (0.43) PDE4DPDE10ABCHECOXFA4MALT1
SCHEMBL10508118 0.72 TLR3 (0.48)

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 PDE4B 3851/4885PDE4D 3777/4885PDE10A 1231/4885

“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.