SCHEMBL22109249

SCHEMBL22109249

CCCCC(C)(CCC)O[C@H]1CCOC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL21166176 0.80 PDE4A (0.31) PDE4DPDE4APDE4BPDE4C
SCHEMBL22109455 0.77 ALDH1A1 (0.34) PDE4DPDE4APDE4BPDE4C
SCHEMBL22002660 0.76 PDE4D (0.33) PDE4DPDE4APDE4BPDE4C
SCHEMBL24702211 0.76 ALDH1A1 (0.35)
SCHEMBL18685047 0.73 PDE4D (0.31) PDE4DPDE4APDE4BPDE4C
SCHEMBL23263802 0.73 PDE4D (0.33) PDE4DPDE4APDE4BPDE4C
SCHEMBL22002404 0.73 PDE4D (0.33) PDE4DPDE4APDE4BPDE4C
SCHEMBL12240837 0.72 ALDH1A1 (0.31) PDE4DPDE4APDE4BPDE4C
SCHEMBL7803266 0.70 PDE4D (0.33) PDE4D
SCHEMBL22602147 0.70 PDE4D (0.33) PDE4D

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-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application Shanghai Pharmaceuticals Holding Cd., Ltd. (CN) 2023-02-14 US disclosed
US-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-06-18 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-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION ERBB2, EGFR, ERBB4 PDE4D 4805/4885PDE4A 4828/4885PDE4B 4774/4885
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application ERBB2, EGFR, ERBB4 PDE4D 4795/4885PDE4A 4823/4885PDE4B 4768/4885

“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.