SCHEMBL2046004

SCHEMBL2046004

COc1ccc(C=O)cc1C(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
TSHR P16473 2/20 0.63
AOX1 Q06278 1/20 0.58
FDPS P14324 1/20 0.54
TRIM24 O15164 1/20 0.53
HPGD P15428 1/20 0.53
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
TTR P02766 1/20 0.50
HTT P42858 2/20 0.45
ALDH1A3 P47895 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TYR P14679 1/20 0.44
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5883547 0.86 ALDH1A1 (0.59) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL8035362 0.85 ALDH1A1 (0.63) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL5882232 0.84 ALDH1A3 (0.52) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL475342 0.84 ALDH1A1 (0.61) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL8002103 0.83 ALDH1A1 (0.45) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL282005 0.82 FDPS (0.47) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL3952495 0.82 PTGS1 (0.57) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL13179869 0.80 TTR (0.54) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL3925646 0.80 ALDH1A1 (0.43) ALDH1A1TSHRAOX1FDPSTRIM24
SCHEMBL20848594 0.80 ALDH1A1 (0.43) ALDH1A1TSHRAOX1FDPSTRIM24

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands CHIDAMBARAM RAMAKRISHNAN 2009-12-31 US claimed
US-20050054873-A1 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2005-03-10 US claimed
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2003-08-21 US claimed
WO-2003039456-A2 PROCESS FOR THE PREPARATION OF ANILINE-DERIVED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 WO claimed
US-12012390-B2 Flavone compounds for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
CN-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 CN disclosed
EP-3849966-B1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-11-17 US disclosed
EP-3849966-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP disclosed
CN-112601743-A Flavone compounds for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-04-02 CN disclosed
CN-106349241-B Triazole derivative with HSP90 inhibitory activity and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-04-21 CN disclosed
WO-2020052774-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2001090053-A1 DIPHENYLMETHANE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-29 WO disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO disclosed
EP-0409729-B1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1994-01-12 EP disclosed
WO-1992004356-A1 PHENANTHRIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1992-03-19 WO disclosed
EP-0409729-A1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1991-01-23 EP 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 (5 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-12012390-B2 Flavone compounds for the treatment and prophylaxis of hepatitis B virus disease PCNA, DNMT1, DNMT3B ALDH1A1 1894/4885TSHR 4171/4885AOX1 2376/4885
US-20050054873-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB ALDH1A1 816/4885TSHR 1/4885AOX1 940/4885
US-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB ALDH1A1 816/4885TSHR 1/4885AOX1 940/4885
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB ALDH1A1 816/4885TSHR 1/4885AOX1 940/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B ALDH1A1 1894/4885TSHR 4171/4885AOX1 2376/4885

“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.