SCHEMBL7686574

SCHEMBL7686574

CCCCC(Cl)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CA2 P00918 6/20 0.39
CA1 P00915 3/20 0.39
MAPK1 P28482 1/20 0.39
FAAH O00519 2/20 0.39
PRKCA P17252 2/20 0.38
TSHR P16473 2/20 0.37
FDPS P14324 1/20 0.35
LMNA P02545 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5694378 0.94 FAAH (0.45) ALDH1A1CA2CA1FAAHPRKCA
SCHEMBL27632353 0.92 FAAH (0.47) CA2FAAHPRKCALMNA
SCHEMBL28876599 0.92 FAAH (0.47) CA2FAAHPRKCALMNA
SCHEMBL9533239 0.92 FAAH (0.47) CA2FAAHPRKCALMNA
SCHEMBL8816859 0.92 FAAH (0.47) CA2FAAHPRKCALMNA
SCHEMBL5694212 0.92 FAAH (0.47) CA2FAAHPRKCALMNA
SCHEMBL21811759 0.92 FAAH (0.47) CA2FAAHPRKCALMNA
SCHEMBL21811922 0.92 FAAH (0.47) CA2FAAHPRKCALMNA
SCHEMBL21811858 0.92 FAAH (0.47) CA2FAAHPRKCALMNA
SCHEMBL29017253 0.90 FAAH (0.46) CA2FAAHPRKCALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115474429-A Novel methods of treating COVID-19 and other infectious diseases using nitric oxide donor compounds 合作股份有限公司 2022-12-13 CN disclosed
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
CN-107721968-A Indeno fused ring compound 光学转变公司 2018-02-23 CN disclosed
CN-104163792-B N-picolinamide compound, preparation method and application thereof 湖南化工研究院 2017-04-12 CN disclosed
CN-103328462-A Indeno-fused ring compounds TRANSITIONS OPTICAL INC 2013-09-25 CN disclosed
CN-1216046-C Improved methods of synthesis for 9-substituted hypoxanthine derivatives MORK EPROWA AG (CH) 2005-08-24 CN disclosed
CN-1166723-C Polystyrene sulfonate film for low-temp. direct methanol fuel cell and preparation process thereof 华南理工大学 2004-09-15 CN disclosed
CN-1449387-A Improved methods of synthesis for 9-substituted hypoxanthine derivatives NEOTHERAPEUTICS INC (US) 2003-10-15 CN disclosed
CN-1385459-A Polystyrene sulfonate film for low-temp. direct methanol fuel cell and preparation process thereof HUA NAN SCIENCE AND ENGINEERIN (CN) 2002-12-18 CN disclosed
CN-1095748-C Aromatic polyamide film and magnetic recording media made by using same TORAY INDUSTRIES (JP) 2002-12-11 CN disclosed
US-20020177717-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-11-28 US disclosed
CN-1242739-A Aromatic polyamide film and magnetic recording media made by using same TORAY INDUSTRIES (JP) 2000-01-26 CN disclosed
CN-1053919-A New imidazolium compounds, its preparation method and based on medicament and some intermediate product of these compounds HOECHST AG (DE) 1991-08-21 CN disclosed
US-4814400-A Polybenzimidazole ester and carboxylic acid HOECHST CELANESE CORPORATION (US) 1989-03-21 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020177717-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL ALDH1A1 100/4885CA2 3324/4885CA1 2976/4885

“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.