SCHEMBL22338484

SCHEMBL22338484

O=C(COC(=O)C1CCNCC1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
NMT1 P30419 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
PLAT P00750 1/20 0.42

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
SCHEMBL606466 0.90 TSHR (0.55) L3MBTL1ALDH1A1MAPK1TSHRNMT1
Hydrochloric Acid SCHEMBL3494457 0.88 TSHR (0.57) ALDH1A1TSHRNMT1SMN1; SMN2NPC1
SCHEMBL3706643 0.87 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPK1TSHRLMNA
Alcohol SCHEMBL27541427 0.84 TSHR (0.53) ALDH1A1TSHRPKMNMT1SMN1; SMN2
SCHEMBL28687641 0.84 TSHR (0.53) ALDH1A1TSHRNMT1SMN1; SMN2NPC1
SCHEMBL3922320 0.82 NMT1 (0.50) L3MBTL1ALDH1A1MAPK1GLATSHR
SCHEMBL6535407 0.82 TSHR (0.47) ALDH1A1TSHRNMT1SMN1; SMN2NPC1
SCHEMBL27953261 0.82 TSHR (0.44) L3MBTL1ALDH1A1TSHRLMNAPKM
SCHEMBL5222777 0.81 TSHR (0.52) ALDH1A1GLATSHRPKMSMN1; SMN2
SCHEMBL15626865 0.81 TSHR (0.52) ALDH1A1GLATSHRPKMSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof 3I, LP 2020-08-13 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-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 L3MBTL1 3547/4885ALDH1A1 795/4885MAPK1 3319/4885

“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.