SCHEMBL14430409

SCHEMBL14430409

CC(=O)CCC(=O)Oc1ccccc1C(=O)OCC(COC(=O)c1ccccc1OC(=O)CCC(C)=O)OC(=O)CCC(=O)OC(COC(=O)c1ccccc1OC(=O)CCC(C)=O)COC(=O)c1ccccc1OC(=O)CCC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CA2 P00918 1/20 0.40
CYP3A4 P08684 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38

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
SCHEMBL14430362 0.88 PTGS2 (0.43) PTGS2ALDH1A1TSHRPKMKDM4E
SCHEMBL14430349 0.87 LMNA (0.48) PTGS2ALDH1A1TSHRPKMKDM4E
SCHEMBL14441289 0.84 MEN1 (0.51) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL2612522 0.81 PTGS2 (0.70) PTGS2ALDH1A1TSHRKDM4EMEN1
SCHEMBL17933018 0.80 HTT (0.49) KDM4EMEN1KMT2ARECQLLMNA
SCHEMBL17935888 0.80 ADRB2 (0.52) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL6261834 0.79 PTGS2 (0.49) PTGS2ALDH1A1TSHRKDM4EMEN1
SCHEMBL374405 0.78 KDM4E (0.54) PTGS2ALDH1A1TSHRPKMKDM4E
SCHEMBL19608786 0.78 PTGS2 (0.57) PTGS2ALDH1A1TSHRKDM4EMEN1
SCHEMBL14430339 0.78 HTT (0.59) ALDH1A1KDM4EMEN1KMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603941-B2 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2017-03-28 US disclosed
US-9603941-B2 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2017-03-28 US disclosed
US-20070190151-A1 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2007-08-16 US disclosed
US-20070190151-A1 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2007-08-16 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-20070190151-A1 Method of preparing dendritic drugs MYD88, TLR3, TLR6 PTGS2 1564/4885ALDH1A1 3848/4885TSHR 2072/4885

“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.