SCHEMBL6445977

SCHEMBL6445977

C=CCN(CC=C)c1cccc(OC(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.47
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PTPN1 P18031 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL1546374 0.82 KMT2A (0.58) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL27858953 0.80 BCHE (0.62) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL876064 0.78 PTPN1 (0.49) KMT2AALDH1A1HPGDTSHRL3MBTL1
SCHEMBL216023 0.78 LMNA (0.51) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL11209759 0.76 ALDH1A1 (0.53) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL1785471 0.75 KMT2A (0.69) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL19143003 0.75 KMT2A (0.50) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL11433685 0.75 TSHR (0.45) KMT2AMEN1TDP1MAPTALDH1A1
Acrylic Acid SCHEMBL29289447 0.74 KMT2A (0.58) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL14898280 0.74 LMNA (0.49) KMT2AMEN1MAPTALDH1A1KDM4E

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-20050165099-A1 Method for producing 2-(4-n,n-dialkylamino-2-hydroxybenzol)benzoates BASF AKTIENGESELLSCHAFT (DE) 2005-07-28 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-20050165099-A1 Method for producing 2-(4-n,n-dialkylamino-2-hydroxybenzol)benzoates ADH1C, ADH5, ADH1A KMT2A 1310/4885MEN1 2986/4885TDP1 4125/4885

“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.