SCHEMBL2945748

SCHEMBL2945748

O=C(CCCO)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.65
HDAC8 Q9BY41 1/20 0.65
PLOD2 O00469 2/20 0.59
ALDH1A1 P00352 2/20 0.53
APP P05067 1/20 0.53
GAA P10253 1/20 0.53
HCAR3 P49019 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
THRB P10828 1/20 0.53
PLOD3 O60568 1/20 0.53
PLOD1 Q02809 1/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52

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
SCHEMBL30096366 1.00 HDAC1 (0.65) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL8545882 0.95 HDAC1 (0.68) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL9549825 0.93 HDAC1 (0.70) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL9405126 0.89 PLOD2 (0.62) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL4947413 0.87 PLOD2 (0.61) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL7075878 0.87 PLOD2 (0.69) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL13518550 0.84 HDAC1 (0.56) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL8572804 0.84 HDAC1 (0.63) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL552456 0.84 HDAC1 (0.63) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL17700981 0.84 HDAC1 (0.63) HDAC1HDAC8PLOD2ALDH1A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4597111-A1 USE OF METABOLIC MARKER FOR DIAGNOSIS OF LUNG CANCER STAGING AND KIT Harbin Metanotitia Inc. (CN) 2025-08-06 EP claimed
CN-117388495-B Application of metabolic marker for diagnosing lung cancer stage and kit 哈尔滨脉图精准技术有限公司 2024-02-09 CN claimed
US-11884644-B1 Method for synthesizing (S)-nicotine and intermediate thereof SHANDONG JINCHENG PHARMACEUTICAL CHEMICAL CO., LTD. (CN) 2024-01-30 US claimed
CN-117388495-A Application of metabolic marker for diagnosing lung cancer stage and kit 哈尔滨脉图精准技术有限公司 2024-01-12 CN claimed
CN-116148392-A Biomarker for diagnosing metabolic-related fatty liver disease, kit and application thereof 北京大学 2023-05-23 CN claimed
CN-115820762-B Process for the synthesis of (S) -nicotine and intermediates thereof 山东金城医药化工有限公司 2023-05-16 CN claimed
CN-115627282-B Synthesis of (S) -nicotine and intermediates thereof 山东金城医药化工有限公司 2023-04-11 CN claimed
CN-115820762-A Process for the synthesis of (S) -nicotine and intermediates thereof 山东金城医药化工有限公司 2023-03-21 CN claimed
CN-115627282-A Synthesis of (S) -nicotine and intermediates thereof 山东金城医药化工有限公司 2023-01-20 CN claimed
EP-4597111-A1 USE OF METABOLIC MARKER FOR DIAGNOSIS OF LUNG CANCER STAGING AND KIT Harbin Metanotitia Inc. (CN) 2025-08-06 EP disclosed
CN-115404249-B Preparation method and application of (S) -nicotine intermediate 重庆博腾制药科技股份有限公司 2024-07-05 CN disclosed
CN-117388495-B Application of metabolic marker for diagnosing lung cancer stage and kit 哈尔滨脉图精准技术有限公司 2024-02-09 CN disclosed
CN-117388495-B Application of metabolic marker for diagnosing lung cancer stage and kit 哈尔滨脉图精准技术有限公司 2024-02-09 CN disclosed
US-11884644-B1 Method for synthesizing (S)-nicotine and intermediate thereof SHANDONG JINCHENG PHARMACEUTICAL CHEMICAL CO., LTD. (CN) 2024-01-30 US disclosed
EP-0234729-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-12-27 EP disclosed
US-4985447-A USEFUL FOR TREATMENT AND PREVENTION OF DISEASES DUE TO DYSFUNCTION OF HEART, BRAIN, LUNG AND KIDNEY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4889941-A Synthetic flavonoids as inhibitors of leukotrienes and 5-lipoxygenase FISONS CORPORATION (US) 1989-12-26 US disclosed
US-4851413-A TREATMENT OF HEART, BRAIN, LUNG OR KIDNEY DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0288077-A2 Synthetic flavonoids as inhibitors of leukotrienes and 5-lipoxygenase PENNWALT CORPORATION (US) 1988-10-26 EP disclosed
EP-0234729-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-02 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 (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-11884644-B1 Method for synthesizing (S)-nicotine and intermediate thereof BHMT, NNMT, CYP2S1 HDAC1 1026/4885HDAC8 2927/4885PLOD2 1944/4885

“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.