SCHEMBL24894635

SCHEMBL24894635

CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(Oc2ccc(OC3CCO3)c(I)c2)c(I)c1)C(=O)OCC1CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCNA P12004 5/20 0.35
▸ THRB P10828 5/20 0.35
▸ THRA P10827 4/20 0.35
▸ CACNA1B Q00975 3/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33

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
SCHEMBL6845200 0.91 PCNA (0.37) PCNATHRBTHRACACNA1BSCN9A
SCHEMBL24894639 0.87 THRA (0.40) PCNATHRBTHRACACNA1BSCN9A
SCHEMBL1526096 0.84 THRB (0.39) PCNATHRBTHRALMNACYP2D6
SCHEMBL12584373 0.83 ITGB3 (0.44) PCNATHRBTHRASCN9ALMNA
SCHEMBL6845190 0.83 ITGB3 (0.44) PCNATHRBTHRASCN9ALMNA
SCHEMBL8189234 0.77 THRB (0.44) PCNATHRBTHRALMNACYP2D6
SCHEMBL17612212 0.77 ITGB3 (0.43) PCNATHRBTHRASCN9ALMNA
SCHEMBL1526077 0.76 THRB (0.36) PCNATHRBTHRALMNACYP2D6
SCHEMBL16124515 0.75 KLK5 (0.43) PCNATHRBTHRASCN9ALMNA
SCHEMBL16124513 0.72 ITGB3 (0.46) PCNATHRBTHRASCN9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230018014-A1 NOVEL COMPOUNDS AND FORMULATIONS PRO-AL MEDICO-TECHNOLOGIES, INC. 2023-01-19 — — 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 (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-20230018014-A1 NOVEL COMPOUNDS AND FORMULATIONS TNNI3, TNNT2, TNNC1 PCNA 4851/4885THRB 15/4885THRA 51/4885

“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.

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