SCHEMBL6708835

SCHEMBL6708835

COc1ccc(C2(C(=O)O)CCC(C#N)CC2)cc1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.61
PDE4B Q07343 19/20 0.61
PDE4C Q08493 19/20 0.61
PDE4D Q08499 19/20 0.61
POLB P06746 1/20 0.47

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
SCHEMBL21051103 1.00 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6829586 0.87 PDE4B (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL7420740 0.86 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6129891 0.82 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL6829290 0.78 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL6323001 0.78 PDE4B (0.74) PDE4APDE4BPDE4CPDE4DPOLB
Bicarbonate SCHEMBL4603657 0.78 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL6322995 0.78 PDE4B (0.74) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6322447 0.78 PDE4B (0.74) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6820431 0.77 PDE4B (0.79) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-10994082-B2 Inhaler counter ASTRAZENECA AB (SE) 2021-05-04 US disclosed
US-20190175849-A1 INHALER COUNTER BANG & OLUFSEN MEDICOM A/S (DK) 2019-06-13 US disclosed
US-20040171597-A1 Anti-inflammatory 17.beta.-carbothioate ester derivatives of androstane with a cyclic ester group in position 17.alpha GLAXO GROUP LIMITED (GB) 2004-09-02 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-20040171597-A1 Anti-inflammatory 17.beta.-carbothioate ester derivatives of androstane with a cyclic ester group in position 17.alpha NR5A1, HSD17B7, HSD17B1 PDE4A 1933/4885PDE4B 2371/4885PDE4C 2570/4885
US-11691962-B2 Therapeutic compounds and compositions KLK5, KLK2, KLKB1 PDE4A 584/4885PDE4B 416/4885PDE4C 491/4885

“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.