SCHEMBL4013286

SCHEMBL4013286

C#C/C=C(\C(=O)OC)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PARP1 P09874 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL4013292 1.00 HPGD (0.43) HPGDNPC1RAB9APARP1MEN1
SCHEMBL28937020 0.82 TSHR (0.46) HPGDMEN1KMT2ATDP1ALDH1A1
SCHEMBL4008388 0.77 AKR1C1 (0.56) HPGDNPC1MEN1KMT2ATDP1
SCHEMBL4008385 0.77 AKR1C1 (0.56) HPGDNPC1MEN1KMT2ATDP1
SCHEMBL27745236 0.75 PARP1 (0.50) HPGDNPC1RAB9APARP1MEN1
SCHEMBL2878179 0.75 PARP1 (0.53) HPGDNPC1RAB9APARP1MEN1
SCHEMBL5794078 0.74 MAPT (0.46) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL6556491 0.72 PARP1 (0.50) HPGDNPC1RAB9APARP1MEN1
SCHEMBL21861986 0.72 PARP1 (0.50) HPGDNPC1RAB9APARP1MEN1
SCHEMBL21804733 0.72 PARP1 (0.46) HPGDNPC1RAB9APARP1MEN1

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 HPGD 618/4885NPC1 1514/4885RAB9A 1988/4885

“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.