SCHEMBL17682218

SCHEMBL17682218

COCC(=O)CCCCn1c(=O)c2c(ncn2CC(O)CN(C)CCO)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.54
▸ CYP1A2 P05177 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ ACHE P22303 2/20 0.48
▸ PDE4A P27815 2/20 0.48
▸ PMP22 Q01453 2/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ RXFP1 Q9HBX9 4/20 0.45
▸ TNF P01375 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ TRPA1 O75762 2/20 0.43

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
SCHEMBL28415031 0.89 LMNA (0.60) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL28870869 0.87 TNF (0.61) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL17682144 0.81 LMNA (0.53) LMNACYP1A2NFKB1ACHEPDE4A
Xanthinol SCHEMBL121656 0.80 LMNA (0.73) LMNASMN1; SMN2POLBRXFP1ADORA2B
SCHEMBL18819566 0.79 LMNA (0.63) LMNASMN1; SMN2POLBRXFP1ADORA2B
SCHEMBL9123086 0.77 ADORA2B (0.72) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL19601307 0.75 LMNA (0.48) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL19227023 0.72 PDE4A (0.68) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL17682217 0.70 LMNA (0.54) LMNAPDE4APMP22SMN1; SMN2POLB
SCHEMBL11396304 0.70 PDE4A (0.76) LMNACYP1A2NFKB1ACHEPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 — — US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 — — EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 — — WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 — — WO 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A LMNA 2616/4885CYP1A2 146/4885NFKB1 1049/4885

“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.

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