SCHEMBL25442219

SCHEMBL25442219

CC(C)c1coc2ccc(F)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ MAOA P21397 4/20 0.41
▸ MAOB P27338 4/20 0.41
▸ PDE10A Q9Y233 3/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 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
SCHEMBL25442218 0.87 CYP11B1 (0.48) PTPN1KDM4EHTTKMT2AGLA
SCHEMBL13915050 0.83 CYP11B1 (0.39) PTPN1KDM4EHTTKMT2AMAOA
SCHEMBL18878405 0.81 PTPN1 (0.56) PTPN1HTTKMT2AMAOAMAOB
SCHEMBL28594851 0.81 PTPN1 (0.56) PTPN1HTTKMT2AMAOAMAOB
SCHEMBL21105012 0.79 GAA (0.37) PTPN1KDM4EHTTMAOBGABRP
SCHEMBL14384453 0.78 PTPN1 (0.61) PTPN1KDM4EHTTKMT2AGLA
SCHEMBL28990316 0.78 PTPN1 (0.65) PTPN1KDM4EHTTKMT2AGLA
SCHEMBL28590304 0.77 PTPN1 (0.59) PTPN1KDM4EHTTKMT2AMAOA
SCHEMBL28596598 0.77 PTPN1 (0.46) PTPN1MAOAMAOB
SCHEMBL11974293 0.76 MAOB (0.51) PTPN1KDM4EGLAMAOAMAOB

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-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 — — 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-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 PTPN1 3724/4885KDM4E 3796/4885HTT 495/4885

“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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