SCHEMBL8915435

SCHEMBL8915435

CCCCCCCCCCCCOS(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.45
PKM P14618 1/20 0.45
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL27521423 1.00 TSHR (0.49) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL20526214 1.00 TSHR (0.49) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL29575676 0.98 TSHR (0.47) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL30528958 0.98 TSHR (0.47) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL6002444 0.98 TSHR (0.47) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL6002555 0.93 TSHR (0.46) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL11286528 0.85 LMNA (0.46) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL28316278 0.83 LMNA (0.44) TSHRALDH1A1LMNACYP3A4TP53
SCHEMBL6745076 0.82 RECQL (0.46) TSHRALDH1A1LMNACYP3A4TP53
Tetrabuthylammonium SCHEMBL5702394 0.77 SLC22A1 (0.41) TSHRALDH1A1LMNACYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495081-A Methods and tools for infiltrating enamel lesions CHARITE UNIVERSITAETSMEDIZIN (DE) 2009-07-29 CN claimed
JP-9113498-A None JP disclosed
US-10930872-B2 Light-emitting electrochemical cell, composition for forming light-emitting layer of light-emitting electrochemical cell, and ionic compound for light-emitting layer of light-emitting electrochemical cell NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-02-23 US disclosed
CN-105434179-B Method and kit for for infiltrating enamel lesions 夏里特柏林大学医学院 2019-06-28 CN disclosed
CN-109790370-A Polyphenylene ether resin composition 旭化成株式会社 2019-05-21 CN disclosed
US-20180301653-A1 LIGHT-EMITTING ELECTROCHEMICAL CELL, COMPOSITION FOR FORMING LIGHT-EMITTING LAYER OF LIGHT-EMITTING ELECTROCHEMICAL CELL, AND IONIC COMPOUND FOR LIGHT-EMITTING LAYER OF LIGHT-EMITTING ELECTROCHEMICAL CELL NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2018-10-18 US disclosed
EP-3386274-A1 ELECTROCHEMICAL LIGHT EMITTING CELL, COMPOSITION FOR FORMING LIGHT EMITTING LAYER OF ELECTROCHEMICAL LIGHT EMITTING CELL, AND IONIC COMPOUND FOR LIGHT EMITTING LAYER OF ELECTROCHEMICAL LIGHT EMITTING CELL Nippon Chemical Industrial Co., Ltd. (JP) 2018-10-10 EP disclosed
CN-108431083-A POLYPHENYLENE ETHER AND RESIN COMPOSITION 旭化成株式会社 2018-08-21 CN disclosed
CN-108350267-A Polyphony Ether fire retardant resin composition 旭化成株式会社 2018-07-31 CN disclosed
EP-3346969-A1 RADICALLY POLYMERIZABLE DENTAL MATERIAL Mühlbauer Technology GmbH (DE) 2018-07-18 EP disclosed
CN-102112094-A Primer composition for metal oxide ceramics TOKUYAMA DENTAL CORP 2011-06-29 CN disclosed
CN-100522957-C Sulfonium salt photinitiators and use thereof NAT STARCH CHEM INVEST (US) 2009-08-05 CN disclosed
CN-101495081-A Methods and tools for infiltrating enamel lesions CHARITE UNIVERSITAETSMEDIZIN (DE) 2009-07-29 CN disclosed
CN-101242802-A Dental curable composition and kit for such dental curable composition SUN MEDICAL CO LTD (JP) 2008-08-13 CN disclosed
CN-1250189-C Tooth cement agent composition KURARAY CO (JP) 2006-04-12 CN disclosed
CN-1245931-C Composition reagent box for dentistry KURARAY CO (JP) 2006-03-22 CN disclosed
CN-1637052-A Sulfonium salt photinitiators and use thereof NAT STARCH CHEM INVEST (US) 2005-07-13 CN disclosed
CN-1394566-A Tooth cement agent composition KURARAY CO (JP) 2003-02-05 CN disclosed
CN-1394567-A Composition reagent box for dentistry KURARAY CO (JP) 2003-02-05 CN disclosed
JP-H09113498-A ANALYTICAL ION CHROMATOGRPAH MOTOMIZU SHIYOUJI 1997-05-02 JP 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-10930872-B2 Light-emitting electrochemical cell, composition for forming light-emitting layer of light-emitting electrochemical cell, and ionic compound for light-emitting layer of light-emitting electrochemical cell CRY2, CRY1, L1CAM TSHR 2939/4885ALDH1A1 53/4885LMNA 277/4885

“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.