SCHEMBL4609736

SCHEMBL4609736

CC(=O)Oc1cccc(OC(=O)C2CCCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
ELANE P08246 2/20 0.56
KMT2A Q03164 6/20 0.55
USP2 O75604 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
ATM Q13315 1/20 0.52
CYP3A4 P08684 1/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL8587545 0.88 POLB (0.70) POLBELANEKMT2AUSP2L3MBTL1
SCHEMBL8316646 0.83 POLB (0.63) POLBKMT2AUSP2L3MBTL1HTT
SCHEMBL4608682 0.83 POLB (1.00) POLBELANEKMT2AUSP2L3MBTL1
SCHEMBL6748812 0.81 POLB (0.70) POLBELANEKMT2AUSP2L3MBTL1
SCHEMBL27908646 0.81 POLB (0.70) POLBELANEKMT2AUSP2L3MBTL1
SCHEMBL23487601 0.81 POLB (0.65) POLBELANEKMT2AUSP2L3MBTL1
SCHEMBL10949493 0.80 POLB (0.76) POLBELANEKMT2AUSP2L3MBTL1
SCHEMBL10782887 0.80 POLB (0.76) POLBELANEKMT2AUSP2L3MBTL1
SCHEMBL10958586 0.80 POLB (0.76) POLBELANEKMT2AUSP2L3MBTL1
SCHEMBL234456 0.80 POLB (0.76) POLBELANEKMT2AUSP2L3MBTL1

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 6 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 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 POLB 920/4885ELANE 1493/4885KMT2A 2077/4885
US-20060210498-A1 Novel resorcinol derivatives for skin NR1H2, CYP1B1, NR0B1 POLB 920/4885ELANE 1493/4885KMT2A 2077/4885

“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.