SCHEMBL6730282

SCHEMBL6730282

CCCC(C)(C)CNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 6/20 0.33
LMNA P02545 2/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TP53 P04637 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
SCHEMBL21915798 0.84 PAOX (0.38) ALDH1A1HSD17B10KDM4CSMN1; SMN2TDP1
SCHEMBL2214465 0.84 LMNA (0.41) ALDH1A1HSD17B10KDM4CCYP2D6CYP2C19
SCHEMBL6729276 0.83 SMN1; SMN2 (0.38) ALDH1A1HSD17B10KDM4CSMN1; SMN2CYP2D6
SCHEMBL4240347 0.80 TDP1 (0.43) HSD17B10KDM4CSMN1; SMN2CYP2D6CYP2C19
SCHEMBL6730280 0.80 KDM4C (0.37) ALDH1A1HSD17B10KDM4CCYP2D6CYP2C19
SCHEMBL23175464 0.79 MEN1 (0.34) ALDH1A1HSD17B10SMN1; SMN2TDP1MEN1
SCHEMBL20269362 0.79 KDM4C (0.40) ALDH1A1HSD17B10KDM4CSMN1; SMN2CYP2D6
SCHEMBL1979548 0.78 SMN1; SMN2 (0.38) ALDH1A1HSD17B10SMN1; SMN2CYP2D6CYP2C19
SCHEMBL20269674 0.77 SMN1; SMN2 (0.38) HSD17B10KDM4CSMN1; SMN2CYP2D6CYP2C19
SCHEMBL22849847 0.77 TDP1 (0.44) ALDH1A1TDP1MEN1KMT2AEPHX1

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-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient EGIS GYOGYSZERGYAR (HU) 2004-09-23 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-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient CYP2F1, CYP3A4, CYP2S1 ALDH1A1 81/4885HSD17B10 688/4885KDM4C 1281/4885

“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.