SCHEMBL6358091

SCHEMBL6358091

CCCCC(O)C(C=O)CCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSK P43235 3/20 0.39
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
SPHK1 Q9NYA1 2/20 0.38
FDPS P14324 1/20 0.35
CYP2D6 P10635 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL732145 0.89 MAPT (0.46) TSHRSMN1; SMN2MAPTTRPA1DDAH1
SCHEMBL9254171 0.87 TSHR (0.50) TSHRSMN1; SMN2CTSKMAPTTRPA1
SCHEMBL6354275 0.85 SPHK1 (0.50) MAPTTRPA1DDAH1GAPDHSPHK1
SCHEMBL9487089 0.85 SPHK1 (0.50) MAPTTRPA1DDAH1GAPDHSPHK1
SCHEMBL9833481 0.85 SPHK1 (0.50) MAPTTRPA1DDAH1GAPDHSPHK1
SCHEMBL13964099 0.82 TSHR (0.38) TSHRSMN1; SMN2CTSKMAPTTRPA1
SCHEMBL25422946 0.80 MAPT (0.42) TSHRSMN1; SMN2MAPTTRPA1DDAH1
SCHEMBL18654167 0.80 LMNA (0.41) TSHRSMN1; SMN2MAPTTRPA1DDAH1
SCHEMBL24053312 0.79 SPHK1 (0.48) TSHRSMN1; SMN2MAPTTRPA1DDAH1
SCHEMBL22575823 0.77 TSHR (0.48) TSHRSMN1; SMN2CTSKMAPTTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997016401-A1 REACTION MIXTURES CONTAINING SUBSTITUTED HYDROCARBON DIOLS AND PROCESSES FOR THE PREPARATION THEREOF UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO claimed
US-20050026998-A1 Compounds for the controlled release of active aldehydes FIRMENICH SA (CH) 2005-02-03 US disclosed
EP-1487815-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2004-12-22 EP disclosed
WO-2003082850-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2003-10-09 WO disclosed
WO-1997016466-A1 POLYURETHANE (METH)ACRYLATES AND PROCESSES FOR PREPARING SAME UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO disclosed
WO-1997016467-A1 POLYURETHANES AND PROCESSES FOR PREPARING SAME UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO disclosed
WO-1997016401-A1 REACTION MIXTURES CONTAINING SUBSTITUTED HYDROCARBON DIOLS AND PROCESSES FOR THE PREPARATION THEREOF UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO disclosed
WO-1997016473-A1 POLYESTERS AND PROCESSES FOR PREPARING SAME UNION CARBIDE CHEMICALS AND PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO disclosed
EP-0162891-B1 MIXTURE OF AMINES AND PROCESS FOR PRODUCING IT MONSANTO COMPANY (US) 1990-05-23 EP disclosed
EP-0162891-A4 Mixture of amines and process for producing it. MONSANTO CO (US) 1987-03-12 EP disclosed
US-4598162-A Detergent range aldehyde and alcohol mixtures and derivatives, and process therefor MONSANTO COMPANY (US) 1986-07-01 US disclosed
EP-0162891-A1 Mixture of amines and process for producing it. MONSANTO CO (US) 1985-12-04 EP disclosed
EP-0161251-A1 DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR MONSANTO COMPANY (US) 1985-11-21 EP disclosed
WO-1985002173-A1 NEW ROUTE TO LONG CHAIN AMINES MONSANTO COMPANY (US) 1985-05-23 WO disclosed
WO-1985002175-A1 DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR MONSANTO COMPANY (US) 1985-05-23 WO disclosed
US-4426542-A HYDROFORMYLATION, ALDOL CONDENSATION, HYDROGENATION MONSANTO COMPANY (US) 1984-01-17 US disclosed
EP-0094456-A1 Preparation of alcohols from olefins having from 3 to 7 carbon atoms MONSANTO COMPANY (US) 1983-11-23 EP 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-20050026998-A1 Compounds for the controlled release of active aldehydes ALDH1A1, ADH5, ALDH16A1 TSHR 4089/4885SMN1; SMN2 1603/4885CTSK 2435/4885

“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.