SCHEMBL21602876

SCHEMBL21602876

O=C(O)C/C=C/CNC(=O)COC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
PAM P19021 1/20 0.36
HTT P42858 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
XBP1 P17861 1/20 0.35
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAOB P27338 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
PLA2G1B P04054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 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
SCHEMBL4126150 0.81 MAPT (0.41) MAPTLMNAKMT2AALDH1A1CYP1A2
SCHEMBL23126427 0.78 KLK7 (0.41) LMNAKMT2AALDH1A1POLBL3MBTL1
SCHEMBL9396561 0.75 CYP1A2 (0.46) MAPTPAMGLASMN1; SMN2KMT2A
SCHEMBL15505363 0.74 KMT2A (0.59) KMT2A
SCHEMBL18025027 0.72 KMT2A (0.39) MAPTHTTLMNAKMT2ATSHR
SCHEMBL16328281 0.68 POLB (0.50) MAPTGAALMNAKMT2ACYP1A2
SCHEMBL21132827 0.67 MAPT (0.40) MAPTHTTGAASMN1; SMN2LMNA
SCHEMBL24613075 0.66 KMT2A (0.48) KMT2A
SCHEMBL23730549 0.64 POLB (0.42) MAPTHTTGAALMNAKMT2A
SCHEMBL12401091 0.64 ALDH1A1 (0.48) MAPTHTTSMN1; SMN2LMNAKMT2A

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-20190389911-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF THE JOHNS HOPKINS UNIVERSITY 2019-12-26 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-20190389911-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF CACYBP, HSPBP1, PEBP1 MAPT 4459/4885PAM 3662/4885HTT 3867/4885

“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.