SCHEMBL5852989

SCHEMBL5852989

CCC(C)Oc1cc(C(=O)OC)cc(N2CCCC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
MDM2 Q00987 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 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
SCHEMBL5852980 1.00 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL5853305 0.91 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL5853313 0.91 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL5222022 0.88 MEN1 (0.49) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL5220110 0.83 POLB (0.49) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL5218738 0.83 KMT2A (0.53) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL5223673 0.81 CTSD (0.48) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL475775 0.81 MEN1 (0.56) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL5219444 0.81 MEN1 (0.56) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL5220587 0.80 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2ACYP1A2

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-6992103-B2 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-31 US disclosed
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 ALDH1A1 1848/4885HPGD 2640/4885MEN1 498/4885

“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.