SCHEMBL9850182

SCHEMBL9850182

Cc1cc(C)cc(C)c1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 3/20 0.61
ACHE P22303 5/20 0.50
TPMT P51580 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
SELE P16581 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
C1S P09871 1/20 0.42
PRSS3 P35030 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAPGEF4 Q8WZA2 2/20 0.41
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
HSP90AA1 P07900 1/20 0.38
CCR6 P51684 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL341533 0.94 ALDH1A1 (0.67) ALDH1A1TSHRACHETPMTSELL
SCHEMBL26115 0.94
SCHEMBL15228210 0.89 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTSELL
SCHEMBL843588 0.89 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTSELL
SCHEMBL2380926 0.89 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTSELL
SCHEMBL25401798 0.89 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTSELL
SCHEMBL23202758 0.89 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTSELL
SCHEMBL23202757 0.89 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTSELL
Hydrochloric Acid SCHEMBL2443762 0.89 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTSELL
SCHEMBL25403949 0.89 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTSELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651209-B Method for preparing (E) -1-phenyl-4-sulfonyl butyl-1-alkene compound by activating carbon-carbon sigma-bond 湖南理工学院 2020-08-11 CN claimed
CN-118750591-A Compositions and methods for personalizing neoplasia vaccines 博德研究所 2024-10-11 CN disclosed
CN-117815373-A Compositions and methods for personalizing neoplasia vaccines 博德研究所 2024-04-05 CN disclosed
CN-112545901-B One-part dental adhesive composition 株式会社松风 2024-03-22 CN disclosed
CN-113164328-B Difunctional and multifunctional coinitiators in dental compositions 登士柏德特里有限公司 2024-02-27 CN disclosed
CN-110317226-B Silane coupling compounds and curable dental compositions containing the same 株式会社松风 2023-12-19 CN disclosed
CN-115197108-B Preparation method of gamma-ketosulfone compound 南华大学 2023-11-28 CN disclosed
CN-114478371-B Application of nickel/ketone double-catalysis system in cross-coupling reaction of halogenated aromatic hydrocarbon and aryl sodium sulfinate 苏州大学 2023-07-04 CN disclosed
US-11602490-B2 One pack-type dental adhesive composition SHOFU INC. (JP) 2023-03-14 US disclosed
CN-114478371-A Application of nickel/ketone double-catalysis system in cross-coupling reaction of halogenated aromatic hydrocarbon and sodium arylsulfinate 苏州大学 2022-05-13 CN disclosed
EP-3876718-A1 BLEACH COMPOSITIONS The Clorox Company (US) 2021-09-15 EP disclosed
US-20210205181-A1 ONE PACK-TYPE DENTAL ADHESIVE COMPOSITION SHOFU INC. (JP) 2021-07-08 US disclosed
EP-3804688-A1 ONE PACK-TYPE DENTAL ADHESIVE COMPOSITION Shofu Inc. (JP) 2021-04-14 EP disclosed
EP-0421660-A2 Improvements to electrical cells Ever Ready Limited (GB) 1991-04-10 EP disclosed
EP-0024872-B2 A METHOD OF TREATING EXPOSED AND DEVELOPED RADIATION SENSITIVE PLATES IN LITHOGRAPHIC PRINTING PLATE PRODUCTION, COMPOSITIONS FOR USE IN THE METHOD, AND THE USE OF DIAZO ELIMINATING COMPOUNDS IN IMPROVING THE INK RECEPTIVITY OF LITHOGRAPHIC PRINTING IMAGES Vickers Limited (GB) 1988-12-07 EP disclosed
EP-0024872-B1 A METHOD OF TREATING EXPOSED AND DEVELOPED RADIATION SENSITIVE PLATES IN LITHOGRAPHIC PRINTING PLATE PRODUCTION, COMPOSITIONS FOR USE IN THE METHOD, AND THE USE OF DIAZO ELIMINATING COMPOUNDS IN IMPROVING THE INK RECEPTIVITY OF LITHOGRAPHIC PRINTING IMAGES Vickers Limited (GB) 1984-03-14 EP disclosed
EP-0024872-A1 A method of treating exposed and developed radiation sensitive plates in lithographic printing plate production, compositions for use in the method, and the use of diazo eliminating compounds in improving the ink receptivity of lithographic printing images Vickers Limited (GB) 1981-03-11 EP disclosed
US-4104465-A SODIUM POLYMERIZATION CATALYST IN PRESENCE OF CHELATING DIAMINE THE FIRESTONE TIRE & RUBBER COMPANY (US) 1978-08-01 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 (2 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-20210205181-A1 ONE PACK-TYPE DENTAL ADHESIVE COMPOSITION ITGA1, TAS2R1, ITGB1 ALDH1A1 330/4885TSHR 4318/4885ACHE 4161/4885
US-11602490-B2 One pack-type dental adhesive composition ITGA1, TAS2R1, ITGB1 ALDH1A1 330/4885TSHR 4318/4885ACHE 4161/4885

“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.