SCHEMBL21099683

SCHEMBL21099683

CNCCCCCCSC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
TRPA1 O75762 5/20 0.38
SIGMAR1 Q99720 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
PAOX Q6QHF9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL22268690 1.00 EPHX1 (0.50) EPHX1TRPA1SIGMAR1L3MBTL1PAOX
SCHEMBL19226301 1.00 EPHX1 (0.50) EPHX1TRPA1SIGMAR1L3MBTL1PAOX
SCHEMBL22268681 1.00 EPHX1 (0.50) EPHX1TRPA1SIGMAR1L3MBTL1PAOX
SCHEMBL8374890 0.97
SCHEMBL1488093 0.88
SCHEMBL7519351 0.78 EPHX1 (0.73) EPHX1SIGMAR1L3MBTL1PAOXKDM4A
SCHEMBL6838885 0.78 EPHX1 (0.73) EPHX1SIGMAR1L3MBTL1PAOXKDM4A
SCHEMBL5909406 0.78 EPHX1 (0.73) EPHX1SIGMAR1L3MBTL1PAOXKDM4A
SCHEMBL7519363 0.78 EPHX1 (0.73) EPHX1SIGMAR1L3MBTL1PAOXKDM4A
SCHEMBL331550 0.78 EPHX1 (0.73) EPHX1SIGMAR1L3MBTL1PAOXKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021234459-A9 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2022-02-03 WO disclosed
US-11090413-B2 Modified alginates for anti-fibrotic materials and applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-08-17 US disclosed
US-20190184067-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2019-06-20 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-11090413-B2 Modified alginates for anti-fibrotic materials and applications ALG1, FIBP, COL2A1 EPHX1 3857/4885TRPA1 2038/4885SIGMAR1 1486/4885
US-20190184067-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS ALG1, FIBP, COL2A1 EPHX1 3857/4885TRPA1 2038/4885SIGMAR1 1486/4885

“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.