SCHEMBL7238397

SCHEMBL7238397

CC(=O)OCCCCCC(SC(CCCCCOC(C)=O)c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A3 Q01959 1/20 0.34
MAPT P10636 2/20 0.34
AGTR1 P30556 1/20 0.34
NTSR1 P30989 1/20 0.34
HTT P42858 1/20 0.34
STAT3 P40763 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
RECQL P46063 1/20 0.33
RAD52 P43351 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL9810755 0.84 HPGD (0.45) PTGS2MEN1KMT2AALDH1A1LMNA
SCHEMBL7231244 0.77 MAPT (0.36) ALDH1A1LMNATDP1SLC6A3MAPT
Hexyl Acetate SCHEMBL8084256 0.75 ALDH1A1 (0.61) ALDH1A1LMNAMAPT
SCHEMBL7125594 0.74 ADRB2 (0.36) PTGS2MEN1KMT2AALDH1A1LMNA
Acetic Acid Pentyl Ester SCHEMBL7772491 0.73 ALDH1A1 (0.63) ALDH1A1LMNATDP1MAPT
SCHEMBL14926488 0.72 NPC1 (0.55) ALDH1A1LMNATDP1MAPTRECQL
SCHEMBL3675245 0.72 CTDSP1 (0.49) PTGS2ALDH1A1LMNAAPOBEC3AAPOBEC3G
P-Xylene SCHEMBL11399447 0.72 LMNA (0.54) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL18994206 0.72 TDP1 (0.43) MEN1KMT2AALDH1A1LMNATDP1
Acetic Acid Butyl Ester SCHEMBL1527432 0.71 ALDH1A1 (0.72) MEN1KMT2AALDH1A1LMNATDP1

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-6503998-B2 Nonlinear Optical (nlo) materials, sulfon-diol-ether derivatives NATIONAL SCIENCE COUNCIL (TW) 2003-01-07 US disclosed
US-20020115869-A1 Lambda-shaped carbazole and main-chain NLO polyurethane containing the same NATIONAL SCIENCE COUNCIL (TW) 2002-08-22 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-20020115869-A1 Lambda-shaped carbazole and main-chain NLO polyurethane containing the same POLL, POLK, LBR PTGS2 976/4885MEN1 4218/4885KMT2A 1909/4885

“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.