Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | TTR | P02766 | 1/20 | 0.56 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5924443 | 0.88 | ESR1 (0.69) | ESR1KMT2AALDH1A1MAPTGAA | |
| SCHEMBL308624 | 0.87 | KMT2A (0.52) | ESR1HSD17B2KMT2AALDH1A1MAPT | |
| SCHEMBL7369436 | 0.86 | TTR (0.54) | ESR1TTRKMT2AALDH1A1MAPT | |
| SCHEMBL750055 | 0.85 | TTR (0.61) | ESR1TTRKMT2AMAPTHPGD | |
| SCHEMBL25255894 | 0.85 | KMT2A (0.50) | ESR1HSD17B2KMT2AALDH1A1MAPT | |
| SCHEMBL8729045 | 0.84 | ESR1 (0.60) | ESR1TTRKMT2AALDH1A1MAPT | |
| SCHEMBL13011084 | 0.84 | ESR1 (0.60) | ESR1KMT2AALDH1A1MAPTGAA | |
| SCHEMBL582920 | 0.83 | HSD17B2 (0.68) | ESR1HSD17B2KMT2AALDH1A1MAPT | |
| SCHEMBL4291025 | 0.82 | ESR1 (0.58) | ESR1KMT2AALDH1A1MAPTGAA | |
| SCHEMBL13011349 | 0.82 | ESR1 (0.58) | ESR1KMT2AALDH1A1MAPTGAA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118401531-A | Benzimidazole compound and medical application thereof | 中国科学院上海药物研究所 | 2024-07-26 | — | — | CN | disclosed |
| CN-116444544-A | Benzimidazole compound and medical application thereof | 中国科学院上海药物研究所 | 2023-07-18 | — | — | CN | disclosed |
| WO-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |
| WO-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |
| EP-2111406-B1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK SHARP & DOHME (US) | 2012-10-24 | — | — | EP | disclosed |
| US-8093389-B2 | e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases | MERCK SHARP & DOHME CORP. (US) | 2012-01-10 | — | — | US | disclosed |
| EP-2111406-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | Merck & Co., Inc. (US) | 2009-10-28 | — | — | EP | disclosed |
| WO-2008088688-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| WO-2008088689-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| US-20080171761-A1 | Substituted spirochromanone derivatives | MERCK SHARP & DOHME LLC | 2008-07-17 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080171761-A1 | Substituted spirochromanone derivatives | CBR3, CBR1, CNKSR1 | ESR1 1574/4885TTR 2607/4885HSD17B2 1192/4885 |
“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.