SCHEMBL5050472

SCHEMBL5050472

COCCCc1c[nH]c2ccc(C(C)C(CC(NC(=O)O)C(O)CNC(C)C)C(C)C)cc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.35
HTR1B P28222 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HCRTR1 O43613 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
PTGS2 P35354 1/20 0.34
SPR P35270 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL1047567 0.90 HTR1D (0.39) HTR1DHTR1BKDM4EALDH1A1L3MBTL1
SCHEMBL1049891 0.89 MTNR1A (0.35) KDM4EALDH1A1MTNR1AMTNR1BKMT2A
SCHEMBL1049543 0.86 HTR1D (0.39) HTR1DHTR1BMTNR1AMTNR1BTRPV1
Hydrochloric Acid SCHEMBL1049681 0.85 HTR1D (0.39) HTR1DHTR1BMTNR1AMTNR1BKMT2A
SCHEMBL1051771 0.84 ACHE (0.33) HTR1DHTR1BKDM4EALDH1A1L3MBTL1
SCHEMBL1049084 0.83 KMT2A (0.38) HTR1DHTR1BKDM4EALDH1A1L3MBTL1
SCHEMBL1083534 0.82 CASP1 (0.40) HTR1DHTR1BKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL5164080 0.78 HTR1D (0.40) HTR1DHTR1BMTNR1AMTNR1BKMT2A
SCHEMBL3769416 0.78 HTR1D (0.38) HTR1DHTR1BMTNR1AMTNR1BTRPV1
SCHEMBL4539260 0.78 HTR1D (0.38) HTR1DHTR1BMTNR1AMTNR1BTRPV1

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-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 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-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C HTR1D 698/4885HTR1B 517/4885KDM4E 2793/4885

“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.