SCHEMBL6804523

SCHEMBL6804523

O=C(O)N(CCOc1ccc(Sc2ccc(O)cc2)cc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 3/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAOB P27338 1/20 0.44
DRD4 P21917 1/20 0.44
MAPT P10636 1/20 0.43
ESR1 P03372 2/20 0.42

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
SCHEMBL6799685 0.84 ESR1 (0.45) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6539989 0.82 FNTA (0.49) LMNAHDAC6TSHRMEN1KMT2A
SCHEMBL6540922 0.81 L3MBTL1 (0.48) HDAC6NPC1MEN1KMT2AESR1
SCHEMBL10880334 0.80 NPC1 (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9265599 0.80 LMNA (0.45) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9272880 0.80 PTGS1 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6335583 0.77 MAOB (0.60) LMNACYP1A2CYP2C19TSHRNPC1
SCHEMBL9273837 0.77 BCHE (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3421061 0.76 CYP1A2 (0.79) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6326282 0.75 BCHE (0.48) LMNACYP1A2CYP2C19TSHRNPC1

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 LMNA 3890/4885CYP1A2 2365/4885PTGS1 1789/4885

“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.