SCHEMBL6141129

SCHEMBL6141129

Nc1ccc(OCC(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
TSHR P16473 2/20 0.52
APP P05067 2/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
MAOB P27338 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
MAOA P21397 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL484242 0.88 LMNA (0.50) TSHRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28556067 0.88 LMNA (0.50) TSHRMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7934862 0.86 MAPT (0.55) TDP1TSHRAPPADRB2ADRB1
SCHEMBL8479002 0.83 TDP1 (0.48) TDP1TSHRAPPADRB2ADRB1
SCHEMBL6912197 0.83 LMNA (0.64) TDP1TSHRAPPADRB2ADRB1
SCHEMBL656178 0.81 AR (0.53) TDP1TSHRAPPADRB2ADRB1
SCHEMBL7124072 0.81 TDP1 (0.47) TDP1TSHRAPPADRB2ADRB1
SCHEMBL11566950 0.81 MAPT (0.50) TDP1TSHRAPPADRB2ADRB1
SCHEMBL9002377 0.79 AR (0.55) TDP1TSHRAPPADRB2ADRB1
SCHEMBL6049252 0.79 TDP1 (0.55) TDP1TSHRAPPADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1536757-A1 HAIR TREATMENT AGENT Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-08 EP disclosed
EP-1517668-A2 GENTLE OXIDATIVE HAIR DYING METHODS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-03-30 EP disclosed
WO-2004026272-A1 HAIR TREATMENT AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-04-01 WO disclosed
WO-2004002439-A2 GENTLE OXIDATIVE HAIR DYING METHODS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-01-08 WO disclosed
US-20030206933-A1 Cosmetic agent containing 2-furanone derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2003-11-06 US disclosed
EP-1218344-A2 OXIDATION COLORANT STARTING PRODUCTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-07-03 EP disclosed
EP-1173143-A1 METHOD AND COLORANT FOR DYEING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-01-23 EP disclosed
EP-1085851-A1 COLORANTS AND USE THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2001-03-28 EP disclosed
EP-1083869-A1 COLORANTS CONTAINING 4-AMINO-2( (DIETHYLAMINO) METHYL)PHENOL AND THEIR USE FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2001-03-21 EP disclosed
WO-2000076977-A2 OXIDATION COLORANT STARTING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-12-21 WO disclosed
WO-2000061090-A1 METHOD AND COLORANT FOR DYEING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-10-19 WO disclosed
WO-2000061087-A1 COLORANTS CONTAINING 4-AMINO-2( (DIETHYLAMINO) METHYL)PHENOL AND THEIR USE FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-10-19 WO disclosed
WO-2000061089-A1 COLORANTS AND USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-10-19 WO disclosed
US-4754069-A PHENOLIC COUPLERS WELLA AKTIENGESELLSCHAFT (DE) 1988-06-28 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 (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-20030206933-A1 Cosmetic agent containing 2-furanone derivatives PRDX5, TRPA1, SRD5A2 TDP1 2610/4885TSHR 4178/4885APP 4029/4885

“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.