SCHEMBL19607606

SCHEMBL19607606

CCC(O)(CC)CCCCn1c(=O)c2c(ncn2CCC2CCCCC2)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ ACHE P22303 2/20 0.53
▸ PMP22 Q01453 2/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ RXFP1 Q9HBX9 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ADORA2B P29275 4/20 0.43
▸ PDE4B Q07343 3/20 0.43
▸ PDE4C Q08493 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ TNF P01375 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL17682120 0.86 ADORA2B (0.58) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL17682157 0.85 PDE4A (0.57) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL17682126 0.81 ADORA2B (0.65) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL17682127 0.79 LMNA (0.62) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL19607604 0.79 PDE4A (0.46) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10577163 0.78 LMNA (0.54) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7029350 0.78 LMNA (0.51) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10346307 0.78 LMNA (0.61) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL17682329 0.77 PDE4A (0.47) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL5427270 0.77 PDE4A (0.70) PDE4ALMNACYP1A2NFKB1ACHE

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 2 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

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 PDE4A 9/4885LMNA 2616/4885CYP1A2 146/4885

“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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