SCHEMBL25097598

SCHEMBL25097598

CC(C)(COc1cc(C(F)(F)F)ccc1-c1cc(=O)c2cccc(Cl)c2o1)CO[C@H]1C[C@@H](C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CDK6 Q00534 2/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CCNT2 O60583 1/20 0.36
▸ S1PR1 P21453 3/20 0.35
▸ S1PR5 Q9H228 3/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL25097596 1.00 CCNT1 (0.36) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL25861907 0.94 CDK1 (0.36) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL21822567 0.90 S1PR1 (0.37) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL21822574 0.90 S1PR1 (0.37) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL25097738 0.90 S1PR1 (0.37) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL21822601 0.89 HPGD (0.35) CDK1CCNB1S1PR1KDM4EALDH1A1
SCHEMBL28568783 0.89 HPGD (0.35) CDK1CCNB1S1PR1KDM4EALDH1A1
SCHEMBL28566040 0.89 HPGD (0.35) CDK1CCNB1S1PR1KDM4EALDH1A1
SCHEMBL21822734 0.86 MGLL (0.39) CCNT1CDK1CDK4CCNB1CCND1
SCHEMBL30169710 0.86 MGLL (0.39) CCNT1CDK1CDK4CCNB1CCND1

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-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 — — US disclosed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 — — 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 (2 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-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease CCNE2, CCNE1, CCNT1 CCNT1 3/4885CDK1 67/4885CDK4 111/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 CCNT1 3/4885CDK1 67/4885CDK4 111/4885

“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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