SCHEMBL30169725

SCHEMBL30169725

O=C(O)CCCOc1cc(Br)ccc1-c1cc(=O)c2cccc(Cl)c2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 2/20 0.39
FABP3 P05413 3/20 0.39
SNCA P37840 1/20 0.39
FABP4 P15090 3/20 0.38
NR1H4 Q96RI1 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
PLA2G2A P14555 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL21822842 1.00 FFAR4 (0.40) FFAR4KDM4EALDH1A1HPGDCYP3A4
SCHEMBL21822605 0.96 HPGD (0.40) FFAR4KDM4EALDH1A1HPGDCYP3A4
SCHEMBL30169634 0.96 HPGD (0.40) FFAR4KDM4EALDH1A1HPGDCYP3A4
SCHEMBL21822597 0.89 HPGD (0.38) KDM4EALDH1A1HPGDCYP3A4MAPT
SCHEMBL21822851 0.89 HPGD (0.38) KDM4EALDH1A1HPGDCYP3A4MAPT
SCHEMBL21822864 0.89 TSHR (0.47) FFAR4KDM4EALDH1A1HPGDCYP3A4
SCHEMBL22090566 0.88 HPGD (0.43) KDM4EALDH1A1HPGDCYP3A4MAPT
SCHEMBL30466734 0.88 HPGD (0.43) KDM4EALDH1A1HPGDCYP3A4MAPT
SCHEMBL21822693 0.88 HPGD (0.43) KDM4EALDH1A1HPGDCYP3A4MAPT
SCHEMBL30660074 0.88 HPGD (0.43) KDM4EALDH1A1HPGDCYP3A4MAPT

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 FFAR4 2604/4885KDM4E 1119/4885ALDH1A1 455/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 FFAR4 2604/4885KDM4E 1119/4885ALDH1A1 455/4885

“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.