SCHEMBL7071827

SCHEMBL7071827

Cc1cccc(Oc2cc(C#N)cc(C#N)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.59
ALDH1A1 P00352 5/20 0.56
ACHE P22303 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
TBXA2R P21731 2/20 0.43
LYN P07948 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MITF O75030 1/20 0.41
GFER P55789 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
LMNA P02545 2/20 0.41
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 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
SCHEMBL921045 0.91 AR (0.65) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL7070749 0.89 SMN1; SMN2 (0.50) ARALDH1A1TDP1GAAMEN1
SCHEMBL921433 0.86 AR (0.63) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL31070296 0.86 AR (0.63) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL7069974 0.85 PDE4A (0.50) ARALDH1A1GAAMEN1KMT2A
SCHEMBL7072557 0.85 PDE4A (0.50) ARALDH1A1GAAMEN1KMT2A
SCHEMBL7070717 0.83 MEN1 (0.50) ALDH1A1HTTTDP1GAAMEN1
SCHEMBL1688852 0.82 ALDH1A1 (0.69) ARALDH1A1ACHEL3MBTL1HTT
SCHEMBL17624244 0.82 KCNH2 (0.46) ARALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7073983 0.81 CYP19A1 (0.54) ARALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181334-A1 Herbicidal method BAYER CROPSCIENCE LIMITED (GB) 2003-09-25 US disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 WO 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-20030181334-A1 Herbicidal method DDT, HAAO, CYP4X1 AR 4356/4885ALDH1A1 184/4885ACHE 175/4885

“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.