SCHEMBL24199697

SCHEMBL24199697

COc1ccccc1C(=O)NOC1CCCCO1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
CTSD P07339 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
STAT3 P40763 1/20 0.45
FAAH O00519 1/20 0.44
CNR2 P34972 1/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL22454529 0.87 HPGD (0.43) TDP1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL29750678 0.85 NPC1 (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28741622 0.83 HPGD (0.43) TDP1MEN1KMT2ANPC1RAB9A
SCHEMBL22454839 0.83 HPGD (0.43) TDP1NPC1RAB9AATM
SCHEMBL28741551 0.82 P2RX3 (0.39) TDP1MEN1KMT2A
SCHEMBL10671815 0.81 SLC6A3 (0.39) TDP1SMN1; SMN2RAB9A
SCHEMBL2436089 0.80 P2RX3 (0.41) TDP1MEN1KMT2A
SCHEMBL4082004 0.79 GSTP1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL30928883 0.78 MEN1 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL30854477 0.78 MEN1 (0.42) MEN1KMT2ASMN1; SMN2

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-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 EP 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-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR TDP1 4450/4885CTSD 1476/4885MEN1 3483/4885

“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.