SCHEMBL25873377

SCHEMBL25873377

[3H]c1cc2c(cc1OC)[C@]1(C)CCC[C@](C)(C(=O)OC)C1CC2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 6/20 0.68
▸ SOD1 P00441 1/20 0.64
▸ NR1H2 P55055 9/20 0.61
▸ NR1H3 Q13133 9/20 0.61
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ABHD16A O95870 1/20 0.49

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
SCHEMBL24177920 0.91 POLA1 (0.81) POLA1SOD1NR1H2NR1H3CYP3A4
SCHEMBL12292033 0.91 POLA1 (0.81) POLA1SOD1NR1H2NR1H3CYP3A4
SCHEMBL19786219 0.91 POLA1 (0.81) POLA1SOD1NR1H2NR1H3CYP3A4
SCHEMBL19770990 0.91 POLA1 (0.81) POLA1SOD1NR1H2NR1H3CYP3A4
SCHEMBL7767289 0.91 POLA1 (0.81) POLA1SOD1NR1H2NR1H3CYP3A4
SCHEMBL19785805 0.84 NR1H2 (0.69) POLA1SOD1NR1H2NR1H3CYP3A4
SCHEMBL20561073 0.83 SOD1 (0.85) POLA1SOD1NR1H2NR1H3
SCHEMBL20561070 0.83 SOD1 (0.85) POLA1SOD1NR1H2NR1H3
SCHEMBL29493568 0.83 SOD1 (0.85) POLA1SOD1NR1H2NR1H3
SCHEMBL24270695 0.83 SOD1 (0.85) POLA1SOD1NR1H2NR1H3

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-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 — — 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 (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-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH POLA1 2945/4885SOD1 245/4885NR1H2 3632/4885

“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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