SCHEMBL5437289

SCHEMBL5437289

CCOc1ccc(C(CC)C(C)=O)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.55
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TNF P01375 1/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CREBBP Q92793 1/20 0.44
AKR1B10 O60218 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MAPK1 P28482 1/20 0.43
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6612965 0.87 AKR1C3 (0.55) PAX8LMNAALDH1A1TNFTSHR
SCHEMBL6432599 0.81 PAX8 (0.53) PAX8LMNAALDH1A1TSHRCYP3A4
SCHEMBL6627302 0.80 NPSR1 (0.48) PAX8LMNAALDH1A1TNFTSHR
SCHEMBL5496986 0.78 LMNA (0.46) PAX8LMNAALDH1A1TNFTSHR
SCHEMBL3666480 0.77 AKR1C3 (0.63) LMNAALDH1A1TNFTSHRSMN1; SMN2
SCHEMBL27877166 0.75 ALDH1A1 (0.46) LMNAALDH1A1TNFTSHRCYP3A4
SCHEMBL6055107 0.75 LMNA (0.48) LMNAALDH1A1TNFTSHRCYP3A4
SCHEMBL6055134 0.75 ALDH1A1 (0.48) LMNAALDH1A1TNFTSHRSMN1; SMN2
SCHEMBL683930 0.74 ALDH1A1 (0.50) LMNAALDH1A1TNFTSHRSMN1; SMN2
SCHEMBL11288491 0.74 ALDH1A1 (0.45) LMNAALDH1A1TNFTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161628-A1 Phosphodiesterase inhibitors GREENPHARMA (FR) 2007-07-12 US disclosed
US-20070161628-A1 Phosphodiesterase inhibitors GREENPHARMA (FR) 2007-07-12 US disclosed
US-20070161628-A1 Phosphodiesterase inhibitors GREENPHARMA (FR) 2007-07-12 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-20070161628-A1 Phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PAX8 4036/4885LMNA 3367/4885ALDH1A1 566/4885

“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.