SCHEMBL2992590

SCHEMBL2992590

CN(C)C(=Cc1ccccc1)c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GPR52 Q9Y2T5 1/20 0.37
HSD11B1 P28845 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
AKR1C1 Q04828 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
SCHEMBL2992588 1.00 LCK (0.41) LCKFYNDAOHPGDALDH1A1
SCHEMBL2992596 0.85 MAPT (0.39) LCKFYNDAOHPGDALDH1A1
SCHEMBL2845203 0.81 AKR1C1 (0.45) ALDH1A1GAATSHRAKR1C3AKR1C1
SCHEMBL7904469 0.81 ESR1 (0.45) ALDH1A1GAATSHRAKR1C3AKR1C1
SCHEMBL4199808 0.75 ESR1 (0.58) CES2ESR1MEN1KMT2AMAPT
SCHEMBL8967280 0.74 CES2 (0.44) LCKFYNDAOHPGDALDH1A1
SCHEMBL305384 0.74 CYP19A1 (0.50) HPGDALDH1A1HTTMEN1KMT2A
SCHEMBL7383322 0.72 AKR1C1 (0.65) LCKFYNDAOHPGDALDH1A1
SCHEMBL5457557 0.72 AKR1C1 (0.65) LCKFYNDAOHPGDALDH1A1
SCHEMBL7944757 0.72 ALDH1A1 (0.48) ALDH1A1GAATSHRAKR1C3CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781187-B2 Fluorescent dyes CORNING INCORPORATED (US) 2010-08-24 US disclosed
EP-1973973-A2 FLUORESCENT DYES CORNING INCORPORATED (US) 2008-10-01 EP disclosed
WO-2007078926-A2 FLUORESCENT DYES CORNING INCORPORATED (US) 2007-07-12 WO disclosed
US-20070154980-A1 Fluorescent dyes CORNING INCORPORATED 2007-07-05 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-20070154980-A1 Fluorescent dyes ZYX, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 LCK 3509/4885FYN 3343/4885DAO 377/4885

“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.