SCHEMBL29628014

SCHEMBL29628014

O=C1C=CCN1CCCCI

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
MGLL Q99685 2/20 0.35
HSP90AA1 P07900 1/20 0.34
TLR9 Q9NR96 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GPR55 Q9Y2T6 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
SCHEMBL6779927 0.81 MGLL (0.50) FAAHMGLLHSP90AA1TLR9ALDH1A1
SCHEMBL22927439 0.81 ALDH1A1 (0.38) FAAHMGLLHSP90AA1TLR9ALDH1A1
SCHEMBL2905468 0.79 MGLL (0.53) FAAHMGLLHSP90AA1TLR9ALDH1A1
SCHEMBL30318919 0.78 FAAH (0.32) FAAHMGLLHSP90AA1TLR9ALDH1A1
SCHEMBL18083882 0.77 MGLL (0.36) FAAHMGLLHSP90AA1TLR9ALDH1A1
SCHEMBL17177651 0.75 PTGS1 (0.41) FAAHMGLLHSP90AA1TLR9ALDH1A1
SCHEMBL17177512 0.75 PTGS1 (0.57) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL22044548 0.74 PTGS1 (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22844033 0.74 MAPK1 (0.33) MAPK1SMN1; SMN2
SCHEMBL8536193 0.74

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-20220169604-A1 BIOCONJUGATION REAGENT AND METHODS UNIVERSITEIT GENT (BE) 2022-06-02 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-20220169604-A1 BIOCONJUGATION REAGENT AND METHODS PIGS, MACF1, PTMA FAAH 645/4885MGLL 1426/4885HSP90AA1 2335/4885

“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.