SCHEMBL24518136

SCHEMBL24518136

CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)c(O)c3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.73
RARB P10826 9/20 0.73
RARG P13631 8/20 0.73
CYP26A1 O43174 6/20 0.73
KMT2A Q03164 3/20 0.73
CYP3A4 P08684 3/20 0.73
MEN1 O00255 2/20 0.73
PGR P06401 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
TBXA2R P21731 1/20 0.73
BLVRB P30043 1/20 0.73
ALDH1A1 P00352 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
CYP26B1 Q9NR63 3/20 0.62
PKM P14618 1/20 0.54
RXRA P19793 6/20 0.51

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
SCHEMBL7511656 0.95 RARA (0.77) RARARARBRARGCYP26A1KMT2A
SCHEMBL9118368 0.90 RARB (0.73) RARARARBRARGCYP26A1KMT2A
SCHEMBL7152370 0.87 RARB (0.91) RARARARBRARGCYP26A1KMT2A
Tamibarotene SCHEMBL29373818 0.84 RARB (1.00) RARARARBRARGCYP26A1KMT2A
Tamibarotene SCHEMBL36207 0.84 RARB (1.00) RARARARBRARGCYP26A1KMT2A
Tamibarotene SCHEMBL21274122 0.84 RARB (0.83) RARARARBRARGCYP26A1KMT2A
SCHEMBL30590581 0.84 RARA (1.00) RARARARBRARGCYP26A1KMT2A
SCHEMBL9118129 0.83 RARA (0.59) RARARARBRARGCYP26A1KMT2A
Tamibarotene SCHEMBL21055743 0.83 RARB (0.97) RARARARBRARGCYP26A1KMT2A
SCHEMBL29355626 0.82 RARB (1.00) RARARARBRARGCYP26A1KMT2A

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
US-20240059656-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN THE SCRIPPS RESEARCH INSTITUTE 2024-02-22 US disclosed
WO-2022125736-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN THE SCRIPPS RESEARCH INSTITUTE (US) 2022-06-16 WO disclosed
WO-2022125736-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN THE SCRIPPS RESEARCH INSTITUTE (US) 2022-06-16 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-20240059656-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN PAH, OGDH, DOHH RARA 2478/4885RARB 1820/4885RARG 2349/4885

“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.