SCHEMBL6509444

SCHEMBL6509444

COc1ccc(CSCCOCCOCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.42
LDHA P00338 1/20 0.42
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 1/20 0.41
ACE P12821 1/20 0.41
IDO1 P14902 2/20 0.41
MAPT P10636 1/20 0.41
FFAR1 O14842 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6518055 0.82 IDO1 (0.45) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL6510310 0.82 IDO1 (0.45) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL17230505 0.82 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL6512047 0.81 IDO1 (0.46) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL6511575 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2PKMGAAACE
SCHEMBL6511578 0.80 TAAR1 (0.47) ALDH1A1SMN1; SMN2PKMIDO1MAPT
SCHEMBL6512863 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PKMGAAIDO1
SCHEMBL8003157 0.79 CYP2C19 (0.64) ALDH1A1SMN1; SMN2PKMGAALDHA
SCHEMBL10791043 0.77 FFAR1 (0.54) SMN1; SMN2LDHAMAPTFFAR1
SCHEMBL498480 0.76 CYP1A2 (0.67) ALDH1A1SMN1; SMN2PKMGAALDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192430-A1 Linker arms for nanocrystals and compounds thereof ROSENTHAL SANDRA J (US) 2005-09-01 US disclosed
US-20030129590-A1 Linker arms for nanocrystals and compounds thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-10 US disclosed
WO-2001090716-A2 LINKER ARMS FOR NANOCRYSTALS AND COMPOUNDS THEREOF VANDERBILT UNIVERSITY (US) 2001-11-29 WO 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 (2 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-20030129590-A1 Linker arms for nanocrystals and compounds thereof SCO2, NCL, NCAPH ALDH1A1 2277/4885SMN1; SMN2 1359/4885PKM 3276/4885
US-20050192430-A1 Linker arms for nanocrystals and compounds thereof NCL, CHN2, SCO2 ALDH1A1 3030/4885SMN1; SMN2 1903/4885PKM 4211/4885

“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.