SCHEMBL25314511

SCHEMBL25314511

CC1(O)C(=O)N(c2cccc(C3OCCO3)c2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ PGR P06401 3/20 0.37
▸ PRKAG1 P54619 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35
▸ PRKAB1 Q9Y478 2/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.34
▸ NR1H2 P55055 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TNKS O95271 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL30132793 1.00 ALDH1A1 (0.42) ALDH1A1PGRPRKAG1PRKAA1PRKAB1
SCHEMBL25312736 0.86 CYP17A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL30227370 0.86 CYP17A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL30718077 0.85 ALDH1A1 (0.38) ALDH1A1PRKAG1PRKAA1PRKAB1ITGB2
SCHEMBL24687985 0.85 ALDH1A1 (0.38) ALDH1A1PRKAG1PRKAA1PRKAB1ITGB2
SCHEMBL23972244 0.85 ALDH1A1 (0.38) ALDH1A1PRKAG1PRKAA1PRKAB1ITGB2
SCHEMBL29565622 0.82 MEN1 (0.39) ALDH1A1PGRPRKAG1PRKAA1PRKAB1
SCHEMBL25313606 0.82 MEN1 (0.39) ALDH1A1PGRPRKAG1PRKAA1PRKAB1
SCHEMBL25311893 0.81 ALDH1A1 (0.33) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL25314565 0.74 PGR (0.36) ALDH1A1PGRITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — US disclosed
CN-115485271-A Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) 理森制药股份公司 2022-12-16 — — CN 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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 426/4885PGR 817/4885PRKAG1 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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