SCHEMBL29438652

SCHEMBL29438652

O=C1c2ccc(O)cc2CCN1c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
ESR1 P03372 5/20 0.44
ESR2 Q92731 2/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
AOC3 Q16853 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
GRM5 P41594 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
BCAT2 O15382 1/20 0.40
PRKCI P41743 1/20 0.40
ALOX5 P09917 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL22726004 1.00 CYP11B1 (0.48) CYP11B1CYP11B2ESR1ESR2MAOA
SCHEMBL16827426 0.85 BCAT2 (0.46) CYP11B1CYP11B2ESR1ESR2MAOA
SCHEMBL29438665 0.85 BCAT2 (0.46) CYP11B1CYP11B2ESR1ESR2MAOA
SCHEMBL22713726 0.85 CYP11B1 (0.53) CYP11B1CYP11B2ESR1ESR2MAOA
SCHEMBL1179680 0.82 ALDH1A1 (0.54) CYP11B1CYP11B2AOC3KDM4EPOLB
SCHEMBL16848252 0.81 AOC3 (0.48) CYP11B1CYP11B2AOC3
SCHEMBL1180475 0.78 EGFR (0.48) CYP11B1CYP11B2BCAT2
SCHEMBL25299690 0.78 CYP11B2 (0.77) CYP11B1CYP11B2GRM5
SCHEMBL29438633 0.78 CYP11B2 (0.77) CYP11B1CYP11B2GRM5
SCHEMBL12955566 0.77 CYP11B1 (0.46) CYP11B1CYP11B2ESR1ESR2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195764-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2025-01-17 CN disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US disclosed
WO-2022057845-A1 COMPOUND SERVING AS THYROID HORMONE β RECEPTOR AGONIST AND USES OF COMPOUND 广东东阳光药业有限公司 2022-03-24 WO disclosed
CN-114195764-A Compound as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业有限公司 2022-03-18 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 (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-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 CYP11B1 3990/4885CYP11B2 4211/4885ESR1 3413/4885

“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.