SCHEMBL8539823

SCHEMBL8539823

[CH2]CCOc1cccc(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
BACE1 P56817 1/20 0.55
HRH3 Q9Y5N1 5/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
SOD1 P00441 1/20 0.47
NR4A2 P43354 1/20 0.46
GGPS1 O95749 1/20 0.46
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
KCNA3 P22001 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL8539801 0.91 LTA4H (0.55) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL8537486 0.89 HRH3 (0.56) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL534849 0.84 LTA4H (0.51) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL4320104 0.82 ALDH1A1 (0.69) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL72837 0.82 LSS (0.56) LTA4HHRH3HDAC1HDAC2ALDH1A1
SCHEMBL53853 0.81 KCNA3 (0.67) LTA4HHDAC1HDAC2ALDH1A1RECQL
SCHEMBL4888278 0.81 LTA4H (0.57) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL29997230 0.81 LTA4H (0.57) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL15473215 0.81 KMT2A (0.57) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL35210255 0.81 LTA4H (0.57) LTA4HBACE1HRH3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998252-B1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEM (JP) 2024-04-24 EP disclosed
WO-2023218862-A1 THIOL COMPOUND AND USES THEREOF 四国化成工業株式会社 2023-11-16 WO disclosed
WO-2023218702-A1 CURING AGENT AND USE THEREOF 四国化成工業株式会社 2023-11-16 WO disclosed
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound SHIKOKU CHEMICALS CORPORATION (JP) 2023-10-03 US disclosed
US-20230210728-A1 ENERGY RAY-CURABLE COATING MATERIAL FOR THREE-DIMENSIONAL SHAPED ARTICLES, ENERGY RAY-CURABLE MATERIAL KIT FOR THREE-DIMENSIONAL SHAPING INCLUDING SAME, THREE-DIMENSIONAL SHAPED ARTICLE USING SAME, AND METHOD OF PRODUCTION THEREOF KURARAY NORITAKE DENTAL INC. (JP) 2023-07-06 US disclosed
WO-2023127934-A1 ENERGY-RAY-CURABLE COMPOSITION FOR THREE-DIMENSIONAL SHAPING USE, DENTAL STRUCTURE, MOUTHPIECE, TEETH-STRAIGHTENING MOUTHPIECE, AND METHOD FOR PRODUCING DENTAL STRUCTURE クラレノリタケデンタル株式会社 2023-07-06 WO disclosed
EP-3750967-B1 ADHESIVE COMPOSITION LG CHEMICAL LTD (KR) 2023-03-08 EP disclosed
CN-111315719-B Thiol compound, method for synthesizing same, and use of thiol compound 四国化成工业株式会社 2022-12-27 CN disclosed
CN-111836867-B Adhesive composition 株式会社LG化学 2022-09-30 CN disclosed
US-20210155831-A1 ADHESIVE COMPOSITION LG CHEM, LTD. (KR) 2021-05-27 US disclosed
EP-3750967-A1 ADHESIVE COMPOSITION LG CHEM, LTD. (KR) 2020-12-16 EP disclosed
US-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 2020-11-26 US disclosed
CN-111836867-A Adhesive composition 株式会社LG化学 2020-10-27 CN disclosed
EP-3702348-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS Shikoku Chemicals Corporation (JP) 2020-09-02 EP disclosed
WO-2020145111-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND 四国化成工業株式会社 2020-07-16 WO disclosed
CN-111315719-A Thiol compound, method for synthesizing same, and use of thiol compound 四国化成工业株式会社 2020-06-19 CN disclosed
CN-107216837-B Pressure-sensitive adhesive composition, pressure-sensitive adhesive, and pressure-sensitive adhesive sheet 琳得科株式会社 2020-01-17 CN disclosed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP 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 (4 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-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS TMT1A, CTH, SLC7A11 LTA4H 45/4885BACE1 2484/4885HRH3 3701/4885
US-20230210728-A1 ENERGY RAY-CURABLE COATING MATERIAL FOR THREE-DIMENSIONAL SHAPED ARTICLES, ENERGY RAY-CURABLE MATERIAL KIT FOR THREE-DIMENSIONAL SHAPING INCLUDING SAME, THREE-DIMENSIONAL SHAPED ARTICLE USING SAME, AND METHOD OF PRODUCTION THEREOF KIT, SETD7, SETDB1 LTA4H 3724/4885BACE1 3312/4885HRH3 3125/4885
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound TST, TMT1A, CTH LTA4H 69/4885BACE1 4103/4885HRH3 3987/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 LTA4H 45/4885BACE1 2484/4885HRH3 3701/4885

“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.