SCHEMBL4010661

SCHEMBL4010661

CC1=CC[CH]C(c2ccc(N3CCCC3)cc2Cl)=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 3/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 4/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB1 P08588 1/20 0.36
ALOX12 P18054 1/20 0.35
HTT P42858 3/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
TERT O14746 2/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
S100B P04271 2/20 0.33
GAA P10253 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
SCHEMBL4014318 0.78 TRIM24 (0.40) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL4009238 0.77 ALDH1A1 (0.41) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL4014527 0.75 TRIM24 (0.36) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8264511 0.71 MAPT (0.68) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL30228205 0.70 MEN1 (0.69) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL5907512 0.69 CRHR1 (0.34)
SCHEMBL9830834 0.68 ADRB1 (0.68) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL4157195 0.67 MAPT (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16727172 0.67 MAPT (0.53) MAPTALDH1A1GFERMEN1KMT2A
SCHEMBL7715055 0.66 ADRB1 (0.66) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 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-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 MAPT 4782/4885ALDH1A1 597/4885GFER 2082/4885

“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.