SCHEMBL22701006

SCHEMBL22701006

Cc1ccc(OCCCS)c(CCCS)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
ALDH1A1 P00352 6/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 1/20 0.44
POLB P06746 4/20 0.43
GPR55 Q9Y2T6 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
L3MBTL1 Q9Y468 9/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAD52 P43351 2/20 0.40

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
SCHEMBL22701013 0.86 TSHR (0.41) MAPTALDH1A1NPSR1CYP2C19CYP1A2
SCHEMBL31336824 0.82 PPARG (0.35) MAPTNPSR1THRBL3MBTL1MAPK1
SCHEMBL29881288 0.79 HTT (0.41) MAPTALDH1A1NPSR1GAATHRB
SCHEMBL17022743 0.79 KDM4E (0.38) MAPTNPSR1GAATHRBL3MBTL1
SCHEMBL17029444 0.79 KDM4E (0.38) MAPTNPSR1GAATHRBL3MBTL1
SCHEMBL29881484 0.79 KDM4E (0.38) MAPTNPSR1GAATHRBL3MBTL1
SCHEMBL11215013 0.78 MAPT (0.61) MAPTALDH1A1NPSR1GAATHRB
SCHEMBL21699722 0.78 HTT (0.32) MAPTNPSR1THRBL3MBTL1MAPK1
SCHEMBL10284332 0.77 ALDH1A1 (0.53) MAPTALDH1A1GAATHRBCYP2C19
SCHEMBL22701002 0.76 PPARG (0.43) MAPTTHRBL3MBTL1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232259-B Moisture-heat hydrolysis resistant dual-curing resin composition and preparation method and application thereof 同济大学 2024-02-27 CN disclosed
CN-115232585-B Single-component epoxy resin composition resistant to wet-hot hydrolysis, and preparation method and application thereof 同济大学 2023-11-24 CN 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-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
CN-115093567-B Ultraviolet light curing resin composition based on thiol-ene reaction, and preparation method and application thereof 同济大学 2023-08-04 CN disclosed
CN-115232259-A Wet-heat hydrolysis-resistant dual-curing resin composition and preparation method and application thereof 同济大学 2022-10-25 CN disclosed
CN-115232585-A Single-component epoxy resin composition resistant to wet heat hydrolysis and preparation method and application thereof 同济大学 2022-10-25 CN disclosed
CN-115093567-A Ultraviolet curing resin composition based on thiol-ene reaction and preparation method and application thereof 同济大学 2022-09-23 CN disclosed
US-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 2020-11-26 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-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS TMT1A, CTH, SLC7A11 MAPT 2185/4885ALDH1A1 81/4885NPSR1 2554/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 MAPT 2185/4885ALDH1A1 81/4885NPSR1 2554/4885

“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.