SCHEMBL807675

SCHEMBL807675

O=C(c1ccco1)C(O)(c1ccccc1)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 5/20 0.41
HSP90AA1 P07900 1/20 0.41
AGTR1 P30556 1/20 0.41
PAX8 Q06710 1/20 0.41
TLR9 Q9NR96 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM3 P20309 3/20 0.39

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
SCHEMBL11279510 0.83 CHRM3 (0.42) PTPN1CES2CES1RAB9ASMN1; SMN2
SCHEMBL71405 0.83 CYP2C9 (0.48) PTPN1CES2CES1RAB9ASMN1; SMN2
SCHEMBL73485 0.81 CHRM3 (0.41) PTPN1CES2CES1RAB9ASMN1; SMN2
SCHEMBL71406 0.76 KCNN4 (0.50) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL30230256 0.76 CES1 (0.44) PTPN1CES2CES1SMN1; SMN2KMT2A
SCHEMBL2075002 0.75 PTPN1 (0.42) PTPN1CES2CES1RAB9ASMN1; SMN2
SCHEMBL11694973 0.74 CES2 (0.44) PTPN1CES2CES1RAB9ASMN1; SMN2
SCHEMBL3612581 0.71 CFTR (0.42) PTPN1KMT2AMEN1CHRM3MAPT
SCHEMBL71754 0.71 MAPT (0.42) PTPN1CES2CES1RAB9AAGTR1
Bromomethane SCHEMBL6308629 0.70 MAPT (0.42) PTPN1CES2CES1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906351-B2 2,2′-furoin derivatives and use thereof to light skin MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906351-B2 2,2′-furoin derivatives and use thereof to light skin MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906351-B2 2,2′-furoin derivatives and use thereof to light skin MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2616040-B1 2,2'-FUROIN DERIVATIVES AND THEIR USE FOR SKIN LIGHTENING MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
EP-2616040-B1 2,2'-FUROIN DERIVATIVES AND THEIR USE FOR SKIN LIGHTENING MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-20130164230-A1 2,2'-FUROIN DERIVATIVES AND USE THEREOF TO LIGHT SKIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-27 US disclosed
US-20130164230-A1 2,2'-FUROIN DERIVATIVES AND USE THEREOF TO LIGHT SKIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-27 US disclosed
US-20130164230-A1 2,2'-FUROIN DERIVATIVES AND USE THEREOF TO LIGHT SKIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-27 US disclosed
WO-2012034629-A1 2,2'-FUROIN DERIVATIVES AND USE THEREOF TO LIGHTEN SKIN MERCK PATENT GMBH (DE) 2012-03-22 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 (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-20130164230-A1 2,2'-FUROIN DERIVATIVES AND USE THEREOF TO LIGHT SKIN TYR, ALDH1A2, MC1R PTPN1 3033/4885CES2 3760/4885CES1 2523/4885

“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.