SCHEMBL4609516

SCHEMBL4609516

Cc1c(O)ccc(C2CCCC2)c1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ADRB2 P07550 2/20 0.38
FEN1 P39748 4/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALOX5AP P20292 3/20 0.36
ACMSD Q8TDX5 2/20 0.36
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
HTR2C P28335 1/20 0.34
CEL P19835 1/20 0.34

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
SCHEMBL30152751 0.98 NUDT1 (0.42) NUDT1BACE1HSP90AA1ADRB2FEN1
SCHEMBL4608024 0.98 NUDT1 (0.42) NUDT1BACE1HSP90AA1ADRB2FEN1
SCHEMBL6863507 0.84 NUDT1 (0.44) NUDT1BACE1HSP90AA1ADRB2FEN1
SCHEMBL7861267 0.84 NUDT1 (0.44) NUDT1BACE1HSP90AA1ADRB2FEN1
SCHEMBL11709403 0.82 NUDT1 (0.39) NUDT1BACE1HSP90AA1ADRB2HDAC4
SCHEMBL17666843 0.80 HTR2C (0.46) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL10607806 0.79 NUDT1 (0.46) NUDT1BACE1HSP90AA1ADRB2FEN1
SCHEMBL4301114 0.78 HTR2C (0.44) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL8954635 0.78 HTR2C (0.44) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL12909319 0.78 NUDT1 (0.39) NUDT1BACE1HSP90AA1HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468464-B2 Resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2008-12-23 US claimed
EP-1861353-B1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2008-10-08 EP claimed
US-20080131382-A1 Novel Resorcinol Derivatives for Skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2008-06-05 US claimed
EP-1861353-A1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2007-12-05 EP claimed
EP-1858835-A1 NOVEL RESORCINOL DERIVATIVES UNILEVER PLC (GB) 2007-11-28 EP claimed
US-20060210498-A1 Novel resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-09-21 US claimed
WO-2006097224-A1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2006-09-21 WO claimed
WO-2006097223-A1 NOVEL RESORCINOL DERIVATIVES UNILEVER PLC (GB) 2006-09-21 WO claimed
US-20060210497-A1 Novel resorcinol derivatives UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-09-21 US claimed
US-7468464-B2 Resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2008-12-23 US disclosed
EP-1861353-B1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2008-10-08 EP disclosed
US-20080131382-A1 Novel Resorcinol Derivatives for Skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2008-06-05 US disclosed
EP-1861353-A1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2007-12-05 EP disclosed
EP-1858835-A1 NOVEL RESORCINOL DERIVATIVES UNILEVER PLC (GB) 2007-11-28 EP disclosed
US-20060210498-A1 Novel resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-09-21 US disclosed
WO-2006097224-A1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2006-09-21 WO disclosed
WO-2006097223-A1 NOVEL RESORCINOL DERIVATIVES UNILEVER PLC (GB) 2006-09-21 WO disclosed
US-20060210497-A1 Novel resorcinol derivatives UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-09-21 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 (3 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-20080131382-A1 Novel Resorcinol Derivatives for Skin NR1H2, CYP1B1, NR0B1 NUDT1 1098/4885BACE1 464/4885HSP90AA1 3078/4885
US-20060210498-A1 Novel resorcinol derivatives for skin NR1H2, CYP1B1, NR0B1 NUDT1 1098/4885BACE1 464/4885HSP90AA1 3078/4885
US-20060210497-A1 Novel resorcinol derivatives NR1H2, DEGS1, NR1H3 NUDT1 1482/4885BACE1 369/4885HSP90AA1 2912/4885

“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.