SCHEMBL13085751

SCHEMBL13085751

COc1cc(C(C)C)cc(CO)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCB11 O95342 1/20 0.33
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
CYP1A2 P05177 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
DYRK1A Q13627 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
VSIR Q9H7M9 2/20 0.31
CRHR1 P34998 1/20 0.31
AR P10275 1/20 0.31
REN P00797 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL13085699 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EEDNRBEDNRACYP1A2
SCHEMBL379312 0.76 L3MBTL1 (0.40) ALDH1A1KDM4ECYP1A2PDE4APDE4B
SCHEMBL4049194 0.76 NOS3 (0.34)
SCHEMBL13085664 0.76 SORD (0.35) LMNACRHR1
SCHEMBL12120832 0.74 NOS2 (0.42) KDM4E
SCHEMBL25843255 0.74 ESR1 (0.32) EDNRBEDNRA
SCHEMBL21646563 0.73 SMN1; SMN2 (0.35) ALDH1A1KDM4EEDNRBEDNRACYP1A2
SCHEMBL13085710 0.73 POLQ (0.39) ALDH1A1KDM4ECYP1A2LMNASMN1; SMN2
SCHEMBL30147946 0.73 SMN1; SMN2 (0.35) ALDH1A1KDM4EEDNRBEDNRACYP1A2
SCHEMBL11993557 0.72 VSIR (0.35) ALDH1A1KDM4ECYP1A2PDE4APDE4B

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-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 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-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885KDM4E 3720/4885ABCB11 641/4885

“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.