SCHEMBL6508566

SCHEMBL6508566

CCCCOc1ccc(C(=O)OCCC2SC(NC3CC4C=CC3C4)=NC2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
ESR1 P03372 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4D Q08499 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6506231 0.89 KMT2A (0.37) ALDH1A1POLBMAPTMAPK1KMT2A
SCHEMBL6510626 0.87 TDP1 (0.34) ALDH1A1POLBLMNAMAPK1SMN1; SMN2
SCHEMBL6503874 0.83 KMT2A (0.36) ALDH1A1CYP1A2CYP2C19CYP2D6KMT2A
SCHEMBL6501686 0.82 NPSR1 (0.39) ALDH1A1POLBMAPTTP53TSHR
SCHEMBL6501528 0.82 L3MBTL1 (0.36) MAPTTP53LMNATSHRCYP2C19
SCHEMBL6499218 0.79 LMNA (0.35) ALDH1A1LMNACYP1A2CYP2C19CYP2D6
Trifluoroacetic Acid SCHEMBL6504699 0.79
SCHEMBL6499622 0.78 HPGD (0.35) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL6499655 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6506122 0.78 KMT2A (0.42) ALDH1A1POLBMAPTLMNAMAPK1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 ALDH1A1 67/4885POLB 1038/4885MAPT 3607/4885

“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.