SCHEMBL25097853

SCHEMBL25097853

O=c1cc(-c2ccc(OC(F)(F)F)cc2OCCO[C@H]2C[C@@H](C(=O)O)C2)oc2c(Cl)cccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ PPARA Q07869 7/20 0.35
▸ PPARD Q03181 4/20 0.35
▸ PPARG P37231 2/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33

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
SCHEMBL21822558 1.00 FFAR4 (0.36) FFAR4FFAR1PPARAPPARDPPARG
SCHEMBL21822676 0.90 KDM4E (0.40) SIGMAR1S1PR1S1PR3CYP3A4
SCHEMBL21822550 0.90 S1PR1 (0.38) FFAR4FFAR1PPARASIGMAR1S1PR1
SCHEMBL25097751 0.90 KDM4E (0.40) SIGMAR1S1PR1S1PR3CYP3A4
SCHEMBL25097847 0.90 KDM4E (0.40) SIGMAR1S1PR1S1PR3CYP3A4
SCHEMBL25097895 0.90 S1PR1 (0.38) FFAR4FFAR1PPARASIGMAR1S1PR1
SCHEMBL25098030 0.90 S1PR1 (0.38) FFAR4FFAR1PPARASIGMAR1S1PR1
SCHEMBL21822574 0.89 S1PR1 (0.37) FFAR4PPARDSIGMAR1S1PR1CYP3A4
SCHEMBL25097738 0.89 S1PR1 (0.37) FFAR4PPARDSIGMAR1S1PR1CYP3A4
SCHEMBL25097826 0.88 PRKDC (0.36) FFAR4FFAR1SCN5ACYP2C9NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112912371-A Flavone derivatives for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-06-04 — — CN claimed
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-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
CN-112912371-A Flavone derivatives for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-06-04 — — 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 (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 FFAR4 2604/4885FFAR1 2002/4885PPARA 1560/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 FFAR4 2604/4885FFAR1 2002/4885PPARA 1560/4885

“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.

Send feedback