SCHEMBL7218459

SCHEMBL7218459

COc1c(C)cc2ccc3cccc4ccc1c2c34

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 5/20 0.47
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL27869644 0.82 NPC1 (0.54) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL28891976 0.81 CYP1A2 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL5750011 0.81 CYP1A2 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL28411636 0.79 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10CYP3A4TSHR
Formaldehyde SCHEMBL28892043 0.78 NPC1 (0.54) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2521104 0.78 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL9764099 0.77 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29070912 0.77 ERN1 (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10435169 0.77 TDP1 (0.45) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL31162741 0.77 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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-20030171587-A1 Antimicrobial 2-pyridones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2003-09-11 US disclosed
US-6509349-B1 suppressing the growth or reproduction of microorganisms, such as bacteria. For example, such antibacterials and other antimicrobials are described in Antibiotics, Chemotherapeutics, and Antibacterial Agents for Disease THE PROCTER & GAMBLE COMPANY 2003-01-21 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-20030171587-A1 Antimicrobial 2-pyridones, their compositions and uses PIR, PRDX6, CLPP ALDH1A1 3730/4885HPGD 1591/4885HSD17B10 2583/4885

“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.