SCHEMBL22244946

SCHEMBL22244946

COc1c(-c2cc(=O)c3cccc(Cl)c3o2)ccc(Br)c1OCCO[C@H]1C[C@@H](C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP1A1 P04798 3/20 0.34
▸ CYP1B1 Q16678 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ 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
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CSNK2A2 P19784 2/20 0.32

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
SCHEMBL22244947 1.00 HPGD (0.35) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL29760532 0.90 ALDH1A1 (0.33) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22245089 0.90 ALDH1A1 (0.33) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22245090 0.90 ALDH1A1 (0.33) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22232824 0.90 ALDH1A1 (0.33) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22231470 0.88 ALDH1A1 (0.39) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22231437 0.88 HPGD (0.43) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22231433 0.88 HPGD (0.43) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL25097594 0.86 HPGD (0.40) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL25097878 0.86 HPGD (0.40) HPGDALDH1A1KDM4ECYP3A4MAPT

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-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-07-07 — — US disclosed
WO-2020148354-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-07-23 — — WO 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 (1 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-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP26B1, CYP7A1 HPGD 1900/4885ALDH1A1 420/4885KDM4E 2315/4885

“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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