SCHEMBL1919299

SCHEMBL1919299

COC(=O)CC(=O)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.60
PLOD3 O60568 3/20 0.60
PLOD1 Q02809 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP2C9 P11712 2/20 0.60
HPGD P15428 1/20 0.60
HIF1A Q16665 1/20 0.60
KDM4E B2RXH2 2/20 0.48
MPO P05164 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2A6 P11509 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NAPRT Q6XQN6 1/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL27755450 0.85 ALDH1A1 (0.52) PLOD2PLOD3PLOD1CYP1A2CYP2C19
SCHEMBL315471 0.83 ALDH1A1 (0.55) PLOD2PLOD3PLOD1CYP1A2CYP2C19
SCHEMBL10948430 0.83 PLOD2 (0.83) PLOD2PLOD3PLOD1CYP1A2CYP2C19
SCHEMBL2587127 0.82 ALDH1A1 (0.53) PLOD2PLOD3PLOD1CYP1A2CYP2C19
SCHEMBL5176902 0.82 PLOD2 (0.53) PLOD2PLOD3PLOD1CYP1A2CYP2C19
SCHEMBL1062957 0.81 PLOD2 (0.56) PLOD2PLOD3PLOD1CYP1A2CYP2C19
SCHEMBL27908332 0.79 PLOD2 (0.55) PLOD2PLOD3PLOD1CYP1A2CYP2C19
SCHEMBL275775 0.79 KMT2A (0.67) PLOD2PLOD3PLOD1CYP1A2CYP2C19
SCHEMBL3108729 0.79 PLOD2 (0.64) PLOD2PLOD3PLOD1CYP1A2CYP2C19
SCHEMBL22129609 0.78 PLOD2 (0.53) PLOD2PLOD3PLOD1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115537406-B Ketoreductase and application thereof in preparation of (S) -1- (4-pyridyl) -1, 3-propanediol 尚科生物医药(上海)有限公司 2024-04-12 CN claimed
CN-115537406-A Ketoreductase and application thereof in preparation of (S) -1- (4-pyridyl) -1,3-propylene glycol 尚科生物医药(上海)有限公司 2022-12-30 CN claimed
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
EP-3820879-B1 PHOSPHORUS-CONTAINING PRODRUGS OF GEMCITABINE CHANGCHUN CHANGCHENG PHARMACEUTICAL TECH CO LTD (CN) 2024-11-06 EP disclosed
CN-115537406-B Ketoreductase and application thereof in preparation of (S) -1- (4-pyridyl) -1, 3-propanediol 尚科生物医药(上海)有限公司 2024-04-12 CN disclosed
CN-115537406-B Ketoreductase and application thereof in preparation of (S) -1- (4-pyridyl) -1, 3-propanediol 尚科生物医药(上海)有限公司 2024-04-12 CN disclosed
CN-115537406-A Ketoreductase and application thereof in preparation of (S) -1- (4-pyridyl) -1,3-propylene glycol 尚科生物医药(上海)有限公司 2022-12-30 CN disclosed
CN-115537406-A Ketoreductase and application thereof in preparation of (S) -1- (4-pyridyl) -1,3-propylene glycol 尚科生物医药(上海)有限公司 2022-12-30 CN disclosed
US-20220104493-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 US disclosed
CN-111655710-B Gemcitabine phosphorus-containing prodrugs 上海长乘医药科技有限公司 2021-12-21 CN disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 WO disclosed
US-5401849-A FOR ANTAGONIZING THE ACTIONS OF, AND INHIBITING THE SYNTHESIS OF, THROMBOXANE A2 ZENECA LIMITED (GB) 1995-03-28 US disclosed
EP-0329360-B1 Pyridine derivatives ICI PLC (GB) 1994-08-03 EP disclosed
US-5248780-A Thromboxane inhibitors IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1993-09-28 US disclosed
US-5166213-A Antiischemic agents, cardiovascular disorders, antiasthmatics or antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US disclosed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP disclosed
US-4829076-A CARDIOVASCULAR DISORDERS ALKALOIDA VEGYESZETI GYAR (HU) 1989-05-09 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-20220104493-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 PLOD2 1321/4885PLOD3 3362/4885PLOD1 758/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR PLOD2 260/4885PLOD3 702/4885PLOD1 333/4885

“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.