SCHEMBL30278981

SCHEMBL30278981

COCCc1ccccc1CCOC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TAAR1 Q96RJ0 2/20 0.41
CA2 P00918 1/20 0.39
MAP2K7 O14733 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
IDO1 P14902 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA1A P35348 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2873340 1.00 TSHR (0.45) TSHRTAAR1CA2MAP2K7CDC25A
SCHEMBL15184061 0.91 TSHR (0.39) TSHRTAAR1CA2IDO1KDM4E
SCHEMBL3158402 0.89 TSHR (0.38) TSHRTAAR1CA2MAP2K7CDC25A
SCHEMBL28051408 0.89 CYP4F2 (0.49) TSHRTAAR1MTNR1AMTNR1BKDM4E
SCHEMBL8142708 0.89 TSHR (0.38) TSHRTAAR1CA2MAP2K7CDC25A
SCHEMBL791460 0.87 ABCB1 (0.50) KDM4EALDH1A1
SCHEMBL18892818 0.87 LIPG (0.44) TSHR
SCHEMBL8816288 0.85 TAAR1 (0.56) TSHRTAAR1CA2KDM4ECHRM2
SCHEMBL11747828 0.85 HTR2A (0.57) TSHRMTNR1AMTNR1BADRA1AL3MBTL1
SCHEMBL11402208 0.85 CA2 (0.43) TSHRCA2MAP2K7CDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 TSHR 1243/4885TAAR1 3204/4885CA2 2405/4885

“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.