SCHEMBL4543141

SCHEMBL4543141

CCCCC=C1C=Cc2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 2/20 0.46
RECQL P46063 2/20 0.46
PTPN1 P18031 2/20 0.46
BCHE P06276 1/20 0.46
POLB P06746 1/20 0.46
PTPRC P08575 1/20 0.46
THRB P10828 1/20 0.46
IDO1 P14902 1/20 0.46
HPGD P15428 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46

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
SCHEMBL4543140 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4543331 0.90 LMNA (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4543328 0.90 LMNA (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11270872 0.83 CYP1A2 (0.42) MEN1KMT2ALMNAALOX15CYP1A2
SCHEMBL11270876 0.83 CYP1A2 (0.42) MEN1KMT2ALMNAALOX15CYP1A2
SCHEMBL170602 0.75 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL20230447 0.72 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EPTPN1HPGD
SCHEMBL16379092 0.70 KDM4E (0.48) MEN1KMT2AALDH1A1MAPTLMNA
1,2-Naphthoquinone SCHEMBL28330150 0.70 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTLMNA
1,2-Naphthoquinone SCHEMBL27880767 0.70 PTPRC (0.83) MEN1KMT2AALDH1A1MAPTLMNA

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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS CHAT, DLAT, CPT1A MEN1 1178/4885KMT2A 3695/4885ALDH1A1 1533/4885

“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.