SCHEMBL25098015

SCHEMBL25098015

O=c1cc(-c2cc(C(F)(F)F)c(Br)cc2O[C@H]2C[C@H](C(=O)O)C2)oc2c(Cl)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP1B1 Q16678 3/20 0.35
▸ RORC P51449 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CLK1 P49759 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TTR P02766 3/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31

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
SCHEMBL30169623 1.00 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1RORCALDH1A1
SCHEMBL28913704 1.00 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1RORCALDH1A1
SCHEMBL25098033 0.89 SIGMAR1 (0.33) CYP1A1CYP1A2CYP1B1ALDH1A1HPGD
SCHEMBL25097860 0.89 SIGMAR1 (0.33) CYP1A1CYP1A2CYP1B1ALDH1A1HPGD
SCHEMBL21822630 0.89 SIGMAR1 (0.33) CYP1A1CYP1A2CYP1B1ALDH1A1HPGD
SCHEMBL25097925 0.89 HPGD (0.37) CYP1A1CYP1A2CYP1B1RORCALDH1A1
SCHEMBL21823136 0.89 HPGD (0.37) CYP1A1CYP1A2CYP1B1RORCALDH1A1
SCHEMBL30169659 0.89 HPGD (0.37) CYP1A1CYP1A2CYP1B1RORCALDH1A1
SCHEMBL25097869 0.89 HPGD (0.37) CYP1A1CYP1A2CYP1B1RORCALDH1A1
SCHEMBL30169754 0.89 HPGD (0.37) CYP1A1CYP1A2CYP1B1RORCALDH1A1

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 CYP1A1 19/4885CYP1A2 43/4885CYP1B1 36/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 CYP1A1 19/4885CYP1A2 43/4885CYP1B1 36/4885

“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