SCHEMBL6328019

SCHEMBL6328019

OC1C(C2CCCCC2)CCC1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
SLC18A3 Q16572 1/20 0.34
HSD11B1 P28845 2/20 0.33
HSD11B2 P80365 1/20 0.33
KDM4E B2RXH2 1/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL6331251 1.00 ALDH1A1 (0.41) ALDH1A1PKMTSHRCA1CA2
SCHEMBL6056887 0.97 ALDH1A1 (0.44) ALDH1A1PKMTSHRCA1CA2
SCHEMBL16617790 0.91 CTDSP1 (0.39) ALDH1A1PKMTSHRCA1CA2
SCHEMBL16625925 0.82 TSHR (0.41) ALDH1A1PKMTSHRHSD11B1HSD11B2
SCHEMBL6355777 0.80 CA1 (0.36) ALDH1A1PKMTSHRCA1CA2
SCHEMBL16625923 0.80 TSHR (0.38) ALDH1A1PKMTSHRCA1CA2
SCHEMBL1643437 0.79 CA1 (0.39) ALDH1A1PKMTSHRCA1CA2
SCHEMBL8254998 0.79 ALDH1A1 (0.39) ALDH1A1TSHRHSD11B1KDM4EAPOBEC3A
SCHEMBL16625922 0.78 TSHR (0.38) TSHRHSD11B1KDM4EAPOBEC3ACTDSP1
SCHEMBL22470037 0.75 ALDH1A1 (0.41) ALDH1A1TSHRCA1CA2CA4

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-20050009928-A1 Cyclopentanone derivative ZEON CORPORATION (JP) 2005-01-13 US disclosed
EP-1420005-A1 CYCLOPENTANONE DERIVATIVE Zeon Corporation (JP) 2004-05-19 EP 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-20050009928-A1 Cyclopentanone derivative PTGIS, CYP51A1, TRPA1 ALDH1A1 954/4885PKM 1093/4885TSHR 4837/4885

“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.