SCHEMBL3316077

SCHEMBL3316077

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nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL3316071 1.00 PTGS1 (0.36) PTGS1KCNH2TSHRTHPO
SCHEMBL6683222 0.73 PTGS1 (0.58) PTGS1KCNH2TSHRTHPO
SCHEMBL6683218 0.73 PTGS1 (0.58) PTGS1KCNH2TSHRTHPO
SCHEMBL9516195 0.69 TSHR (0.43) TSHRTHPO
SCHEMBL6684127 0.69
SCHEMBL6512974 0.69 HDAC3 (0.30)
SCHEMBL29139788 0.68 TSHR (0.34) TSHRTHPO
SCHEMBL15669343 0.67 PTGS1 (0.50) PTGS1KCNH2
SCHEMBL15669344 0.67 PTGS1 (0.50) PTGS1KCNH2
SCHEMBL18339356 0.67 PTGS1 (0.40) PTGS1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004062635-A1 COMPOSITIONS FOR SKIN LIGHTENING COMPRISING BIS-PANTOYL-CYSTAMINE DSM IP ASSETS B.V. (NL) 2004-07-29 WO claimed
WO-2004062633-A1 HAIR CARE COMPOSITIONS COMPRISING BIS - PANTOYL - CYSTAMINE OR A DERIVATIVE THEREOF DSM IP ASSETS B.V. (NL) 2004-07-29 WO claimed
EP-2117652-B1 COSMETIC COMPOSITIONS DSM IP ASSETS BV (NL) 2013-09-25 EP disclosed
EP-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 EP disclosed
US-20100105638-A1 COSMETIC COMPOSITIONS DSM IP ASSETS B.V. (NL) 2010-04-29 US disclosed
US-20090263340-A1 COSMETIC COMPOSITIONS DSM IP ASSETS B.V. (NL) 2009-10-22 US disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 WO disclosed
US-20090041687-A1 Use of opioid receptor antagonists DSM IP ASSETS B.V. (NL) 2009-02-12 US disclosed
EP-2010132-A1 COSMETIC COMPOSITIONS COMPRISING SALICYLIC ACID AND ASCORBIC ACID DSMIP Assets B.V. (NL) 2009-01-07 EP disclosed
EP-1926490-A2 USE OF OPIOID RECEPTOR ANTAGONISTS DSMIP Assets B.V. (NL) 2008-06-04 EP disclosed
WO-2007118605-A1 COSMETIC COMPOSITIONS COMPRISING SALICYLIC ACID AND ASCORBIC ACID DSM IP ASSETS B.V. (NL) 2007-10-25 WO disclosed
WO-2007051596-A1 NOVEL RETINYL BIOTINATES AND USE THEREOF DSM IP ASSETS B.V. (NL) 2007-05-10 WO disclosed
WO-2007039058-A2 USE OF OPIOID RECEPTOR ANTAGONISTS DSM IP ASSETS B.V. (NL) 2007-04-12 WO disclosed
WO-2004062633-A1 HAIR CARE COMPOSITIONS COMPRISING BIS - PANTOYL - CYSTAMINE OR A DERIVATIVE THEREOF DSM IP ASSETS B.V. (NL) 2004-07-29 WO disclosed
WO-2004062635-A1 COMPOSITIONS FOR SKIN LIGHTENING COMPRISING BIS-PANTOYL-CYSTAMINE DSM IP ASSETS B.V. (NL) 2004-07-29 WO disclosed
WO-2004062633-A1 HAIR CARE COMPOSITIONS COMPRISING BIS - PANTOYL - CYSTAMINE OR A DERIVATIVE THEREOF DSM IP ASSETS B.V. (NL) 2004-07-29 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-20100105638-A1 COSMETIC COMPOSITIONS NAMPT, NAPRT, ADH1B PTGS1 4255/4885KCNH2 2561/4885TSHR 3219/4885

“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.