SCHEMBL4565106

SCHEMBL4565106

C=CCNC(=O)C(=C)CNC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.38
FAAH O00519 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5140971 0.82 TSHR (0.42) TSHRSMN1; SMN2MAPTKMT2AFAAH
SCHEMBL1077999 0.77 TSHR (0.45) TSHRSMN1; SMN2MAPTKMT2AFAAH
SCHEMBL45240 0.77 TSHR (0.45) TSHRSMN1; SMN2MAPTKMT2AFAAH
SCHEMBL880051 0.77
SCHEMBL30285352 0.75 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AFAAH
Hydrochloric Acid SCHEMBL849719 0.75 SMN1; SMN2 (0.54) TSHRSMN1; SMN2MAPTKMT2AFAAH
Dimethylamine SCHEMBL3953015 0.75 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AFAAH
SCHEMBL9047033 0.75 ALOX15 (0.48) TSHRSMN1; SMN2MAPTKMT2AFAAH
SCHEMBL30961 0.75 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AFAAH
SCHEMBL7170680 0.75 TSHR (0.43) TSHRSMN1; SMN2MAPTKMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10912719-B2 Personal care composition and method of making THE PROCTER AND GAMBLE COMPANY (US) 2021-02-09 US disclosed
US-20160106663-A1 PERSONAL CARE COMPOSITION AND METHOD OF MAKING THE PROCTER & GAMBLE COMPANY 2016-04-21 US disclosed
US-20160095809-A1 METHOD OF IMPROVED VOLUME AND COMBABILITY USING PERSONAL CARE COMPOSITION COMPRISING A PRE-EMULSIFIED FORMULATION THE PROCTER & GAMBLE COMPANY 2016-04-07 US disclosed
US-20150368443-A1 Stability of Zinc Pyrithione Dispersions THE PROCTER & GAMBLE COMPANY 2015-12-24 US disclosed
US-20140348886-A1 Method of Achieving Improved Product Rheology, Cosmetic Consumer Acceptance and Deposition THE PROCTER & GAMBLE COMPANY (US) 2014-11-27 US disclosed
EP-2579972-A1 METHOD FOR PREPARING A NON-IONIC SURFACTANT STABLE PERSONAL CARE DISPERSION The Procter and Gamble Company (US) 2013-04-17 EP disclosed
US-20090087398-A1 Method for Treating Damaged Hair THE PROCTER & GAMBLE COMPANY 2009-04-02 US disclosed
US-20080206355-A1 Composition comprising a particulate zinc material, a pyrithione or a polyvalent metal salt of a pyrithione and a synthetic cationic polymer THE PROCTER & GAMBLE COMPANY 2008-08-28 US disclosed
US-7288514-B2 Polymer-fluorosurfactant associative complexes THE CLOROX COMPANY (US) 2007-10-30 US disclosed
US-20060234901-A1 Polymer-fluorosurfactant associative complexes CLOROX COMPANY, THE 2006-10-19 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 (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-10912719-B2 Personal care composition and method of making CUTA, POLR1C, KRT18 TSHR 2566/4885SMN1; SMN2 4129/4885MAPT 39/4885
US-20080206355-A1 Composition comprising a particulate zinc material, a pyrithione or a polyvalent metal salt of a pyrithione and a synthetic cationic polymer SLC39A3, SLC39A14, SLC30A7 TSHR 3015/4885SMN1; SMN2 3205/4885MAPT 1626/4885
US-20160095809-A1 METHOD OF IMPROVED VOLUME AND COMBABILITY USING PERSONAL CARE COMPOSITION COMPRISING A PRE-EMULSIFIED FORMULATION POLR1C, SGMS1, CERT1 TSHR 2928/4885SMN1; SMN2 1024/4885MAPT 2272/4885
US-20090087398-A1 Method for Treating Damaged Hair LPO, MAG, CUTA TSHR 2299/4885SMN1; SMN2 4423/4885MAPT 2355/4885
US-20140348886-A1 Method of Achieving Improved Product Rheology, Cosmetic Consumer Acceptance and Deposition POLR1C, PIK3C3, CUTA TSHR 2206/4885SMN1; SMN2 1922/4885MAPT 1495/4885
US-20160106663-A1 PERSONAL CARE COMPOSITION AND METHOD OF MAKING CUTA, POLR1C, KRT18 TSHR 2566/4885SMN1; SMN2 4129/4885MAPT 39/4885

“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.