SCHEMBL584475

SCHEMBL584475

CCCCCCCCCCCCOc1cccc(C=O)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
TLR4 O00206 1/20 0.57
TLR2 O60603 1/20 0.57
MAOA P21397 7/20 0.54
MAOB P27338 7/20 0.54
SMPD1 P17405 3/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PLA2G4B P0C869 2/20 0.51
GGPS1 O95749 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CYSLTR2 Q9NS75 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
SCHEMBL6289516 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL8796357 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL10498103 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL7756955 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL3904389 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL10497495 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL10497968 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL584671 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL8863665 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB
SCHEMBL10497778 1.00 TSHR (0.59) TSHRTLR4TLR2MAOAMAOB

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1589136-A Pharmaceutical and cosmetic compositions containing aromatic aldehydes bearing oxygen-containing groups CUTANIX CORP (US) 2005-03-02 CN claimed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
US-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2020-07-07 US disclosed
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2018-06-21 US disclosed
US-9895361-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2018-02-20 US disclosed
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2016-06-30 US disclosed
US-9107874-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2015-08-18 US disclosed
US-8496951-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2013-07-30 US disclosed
CN-102973417-A Pharmaceutical and cosmetic compositions containing oxy group-bearing aromatic aldehydes CUTANIX CORP 2013-03-20 CN disclosed
CN-101035529-B Novel uses DESTINY PHARMA LTD 2013-03-06 CN disclosed
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2013-02-07 US disclosed
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 US disclosed
WO-2004056828-A2 NOVEL COMPOUNDS AND USES THEREOF DESTINY PHARMA LIMITED (GB) 2004-07-08 WO disclosed
EP-1404329-A1 SUBSTITUTED 4-ARYL-3-(3-ARYL-1-OXO-2-PROPENYL)-2(1H)-QUINOLINONES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-07 EP disclosed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP disclosed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US disclosed
WO-2002098425-A1 SUBSTITUTED 4-ARYL-3-(3-ARYL-1-OXO-2-PROPENYL)-2(1H)-QUINOLINONES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-12 WO disclosed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO disclosed
WO-1995013266-A1 ACYLPYRROLE-ALKANOIC ACIDS AND INDOLE-2-ALKANOIC ACIDS PLUS THEIR DERIVATIVES FOR USE AS INHIBITORS OF PHOSPHOLIPASE A¿2? MERCKLE GMBH CHEM.-PHARM. FABRIK (DE) 1995-05-18 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 (6 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-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 TSHR 4387/4885TLR4 285/4885TLR2 139/4885
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 TSHR 4387/4885TLR4 285/4885TLR2 139/4885
US-20130035359-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 TSHR 4387/4885TLR4 285/4885TLR2 139/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 TSHR 4387/4885TLR4 285/4885TLR2 139/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH TSHR 3602/4885TLR4 540/4885TLR2 751/4885
US-20160184289-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 TSHR 4387/4885TLR4 285/4885TLR2 139/4885

“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.