SCHEMBL14448347

SCHEMBL14448347

CCC(C(C)=O)c1cc(C)c(C)cc1C(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
ACHE P22303 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 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
SCHEMBL4282581 0.91 TSHR (0.54) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
Ethylene SCHEMBL6410194 0.89 TSHR (0.51) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL14448350 0.87 MAPK1 (0.53) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL3247280 0.87 CYP3A4 (0.49) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL14713356 0.86 TSHR (0.48) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL3854017 0.83 TUBB4A (0.48) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL8323174 0.83 SMPD1 (0.48) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL8337903 0.83 SMPD1 (0.48) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL3854627 0.80 NPC1 (0.55) ACHEMAPTBCHESMN1; SMN2
SCHEMBL3234539 0.80 NPC1 (0.55) ACHEMAPTBCHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 2368/4885CYP2C19 138/4885CYP1A2 84/4885

“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.