SCHEMBL3753026

SCHEMBL3753026

[CH2]Oc1c(Cl)cc(C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 4/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.32
APEX1 P27695 1/20 0.32
MPI P34949 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAPGEF4 Q8WZA2 2/20 0.30

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
SCHEMBL1044921 0.78 ALDH1A1 (0.45) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL3753027 0.76 ACHE (0.52) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL3759262 0.74
SCHEMBL10510114 0.73 MAPT (0.41) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL1047352 0.72 RAPGEF4 (0.39) MAPTL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL18583495 0.70 CSNK2A1 (0.36) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL13256220 0.70 ACHE (0.46) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL10068105 0.70 MAPT (0.47) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL1322094 0.69 CYP1A2 (0.45) L3MBTL1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL10834294 0.69 RAPGEF4 (0.33) MAPTALDH1A1KMT2AACHERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
WO-2012069476-A1 NOVEL DIRECT DYES CONTAINING AN ASCORBIC ACID-BASED UNIT, DYE COMPOSITION COMPRISING THEM AND PROCESS FOR DYEING HUMAN KERATIN MATERIALS USING THESE DYES L'OREAL (FR) 2012-05-31 WO disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT MAPT 2257/4885HPGD 1583/4885MAPK1 1845/4885

“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.