SCHEMBL4544185

SCHEMBL4544185

O=C1/C(=C\c2ccccc2)C=Cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.54
HPGD P15428 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 2/20 0.52
BCHE P06276 1/20 0.52
POLB P06746 1/20 0.52
PTPRC P08575 1/20 0.52
THRB P10828 1/20 0.52
PKM P14618 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX15 P16050 1/20 0.52
PTPN1 P18031 1/20 0.52
ACHE P22303 1/20 0.52
CES1 P23141 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL4544187 1.00 HTR6 (0.54) HTR6HPGDKDM4EALDH1A1MAPT
SCHEMBL5692118 0.84 HTR6 (0.72) HTR6HPGDKDM4EALDH1A1MAPT
SCHEMBL31277049 0.84 HTR6 (0.72) HTR6HPGDKDM4EALDH1A1MAPT
SCHEMBL5830485 0.84 HTR6 (0.72) HTR6HPGDKDM4EALDH1A1MAPT
SCHEMBL10335206 0.82 CYP1A2 (0.52) HPGDKDM4EALDH1A1MAPTMEN1
Acetone SCHEMBL28168932 0.79 HTR6 (0.60) HTR6HPGDKDM4EALDH1A1MAPT
Acetic Acid SCHEMBL9308784 0.79 HTR6 (0.60) HTR6HPGDKDM4EALDH1A1MAPT
SCHEMBL170602 0.77 MEN1 (0.55) HTR6HPGDKDM4EALDH1A1MAPT
SCHEMBL4543564 0.74 KDM4E (0.55) HTR6HPGDKDM4EALDH1A1MAPT
SCHEMBL4543566 0.74 KDM4E (0.55) HTR6HPGDKDM4EALDH1A1MAPT

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 HTR6 857/4885HPGD 3033/4885KDM4E 4177/4885

“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.