SCHEMBL6490796

SCHEMBL6490796

O=C1C[C@@H]([C@@H](COCc2ccccc2)OCc2ccccc2)CN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
DPP4 P27487 2/20 0.41
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
GRM2 Q14416 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6490067 0.75 ACHE (0.46) NPC1ALDH1A1RAB9A
SCHEMBL24225536 0.74 HPGD (0.59) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL6479566 0.73 LMNA (0.42) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4023586 0.72 HPGD (0.56) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL9437297 0.72 HPGD (0.56) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL4023584 0.72 HPGD (0.56) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL19499466 0.72 HPGD (0.56) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL9143624 0.71 HPGD (0.55) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL3009629 0.71 HPGD (0.55) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL3009626 0.71 HPGD (0.55) HPGDTSHRPDE4APDE4BPDE4C

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-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 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 (2 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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 HPGD 184/4885TSHR 4656/4885TDP1 1677/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 HPGD 184/4885TSHR 4656/4885TDP1 1677/4885

“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.