SCHEMBL6832508

SCHEMBL6832508

O=C(O)CCC(=O)c1ccsc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
DAO P14920 1/20 0.57
NR4A2 P43354 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HSD11B1 P28845 1/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
FFAR1 O14842 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC1 Q13547 1/20 0.47
USP5 P45974 1/20 0.46
TBXAS1 P24557 2/20 0.45

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
SCHEMBL15988683 0.92 CES2 (0.62) LCKFYNDAONR4A2CES2
SCHEMBL9466233 0.85 LCK (0.50) LCKFYNDAONR4A2CES2
SCHEMBL4336119 0.82 LCK (0.59) LCKFYNDAOCES2CES1
SCHEMBL8534645 0.80 SMN1; SMN2 (0.64) NR4A2ALDH1A1GAACYP2C19KMT2A
SCHEMBL27586695 0.80 CES2 (0.54) LCKFYNDAOCES2CES1
SCHEMBL828010 0.80 CES2 (0.54) LCKFYNDAOCES2CES1
SCHEMBL6050383 0.80 CES2 (0.54) LCKFYNDAOCES2CES1
SCHEMBL22721318 0.79 CES1 (0.62) LCKFYNDAOCES2CES1
SCHEMBL15574231 0.78 GPR52 (0.57) LCKFYNDAOCES2CES1
SCHEMBL15412422 0.78 CES2 (0.47) LCKFYNDAOCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20040028702-A1 Muramic acid derivative compounds MALETIC MILANA M (US) 2004-02-12 US disclosed
US-4342690-A HHYPOTENSIVE AGE TS AMERICAN CYANAMID COMPANY (US) 1982-08-03 US disclosed
US-4342689-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 US disclosed
US-4342691-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 US disclosed
US-4299769-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1981-11-10 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-20040028702-A1 Muramic acid derivative compounds APEH, PEPD, OGT LCK 4330/4885FYN 4269/4885DAO 171/4885

“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.