SCHEMBL641208

SCHEMBL641208

CCCCCC(N)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.41
SMPD1 P17405 4/20 0.40
OPRM1 P35372 1/20 0.40
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
DNM1 Q05193 4/20 0.33
GGPS1 O95749 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL641726 0.97 SMPD1 (0.43) FDPSSMPD1OPRM1TSHRTHRB
SCHEMBL4260580 0.97 SMPD1 (0.43) FDPSSMPD1OPRM1TSHRTHRB
SCHEMBL3073022 0.97 SMPD1 (0.43) FDPSSMPD1OPRM1TSHRTHRB
SCHEMBL504337 0.92 FDPS (0.39) FDPSSMPD1OPRM1TSHRTHRB
Ammonia Solution, Strong SCHEMBL28391001 0.90 FDPS (0.38) FDPSSMPD1OPRM1TSHR
SCHEMBL640974 0.80 FDPS (0.35) FDPS
SCHEMBL7036676 0.80 FDPS (0.43) FDPSSMPD1OPRM1GGPS1SPHK1
SCHEMBL27863382 0.79 NFKB1 (0.37) FDPSTSHRDNM1MEN1KMT2A
SCHEMBL28732851 0.79 FDPS (0.41) FDPSSMPD1OPRM1TSHRTHRB
SCHEMBL14277926 0.78 FDPS (0.34) FDPSOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118044612-A Preparation method of ginsenoside ester health product 南昌大学 2024-05-17 CN claimed
CN-114195784-A Pabociclib related substance, preparation method and application thereof 斯坦德标准技术研究(湖北)有限公司 2022-03-18 CN claimed
CN-110684083-A Conjugate II for inhibiting melanin synthesis and application thereof in medicines and cosmetics 北京岳昊科技发展有限公司 2020-01-14 CN claimed
CN-110680928-A Conjugate for inhibiting melanin synthesis and application thereof in medicines and cosmetics 北京岳昊科技发展有限公司 2020-01-14 CN claimed
US-12077631-B2 Bulk polymerisation of polyoxazolidone BASF SE (DE) 2024-09-03 US disclosed
CN-118044612-A Preparation method of ginsenoside ester health product 南昌大学 2024-05-17 CN disclosed
CN-112424253-B Bulk polymerization of polyoxazolidinones 巴斯夫欧洲公司 2024-02-27 CN disclosed
CN-117024516-A Polypeptide mimic enzyme, preparation method thereof and application thereof in preparation of nerve substance detection reagent 天津大学 2023-11-10 CN disclosed
CN-114106205-B Preparation of mesenchymal stem cell exosomes and compositions and application in cosmetics 滨州医学院 2023-10-10 CN disclosed
CN-110615826-B Cosmetic composition and pharmaceutical composition 因科斯医药公司 2023-09-29 CN disclosed
CN-112041367-B Aqueous composition containing uretdione groups and process for preparing the same 科思创知识产权两合公司 2023-05-16 CN disclosed
CN-111886272-B Aqueous composition containing uretdione groups and process for its preparation 科思创德国股份有限公司 2022-11-15 CN disclosed
US-20070129488-A1 Preparation of a polyurethane dispersion with blocked isocyanate groups BAYER MATERIALSCIENCE AG 2007-06-07 US disclosed
US-20070095645-A1 Distillation of ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2007-05-03 US disclosed
US-20070032594-A1 Self-crosslinking polyurethane dispersions containing uretdione and isocyanate-reactive groups BAYER MATERIALSCIENCE AG 2007-02-08 US disclosed
US-20070004856-A1 Self-crosslinking polyurethane dispersions and a process for their preparation BAYER MATERIALSCIENCE AG 2007-01-04 US disclosed
US-7049367-B2 Stoving enamels; use in varnishes and paints, especially in automotive coatings; gloss, smoothness BAYER AKTIENGESELLSCHAFT (DE) 2006-05-23 US disclosed
US-20050075470-A1 Self-crosslinking polyurethane dispersions BAYER MATERIALSCIENCE AG (DE) 2005-04-07 US disclosed
US-20050020857-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
US-20030199632-A1 Self-crosslinking PU dispersions BAYER AKTIENGESELLSCHAFT (DE) 2003-10-23 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-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B FDPS 1434/4885SMPD1 297/4885OPRM1 4835/4885

“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.