SCHEMBL7123990

SCHEMBL7123990

CCCc1ccc(C(N)=O)c(C(N)=O)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.40
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CA12 O43570 1/20 0.35
CNR2 P34972 3/20 0.35
MAPT P10636 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
CNR1 P21554 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
SCHEMBL28971364 0.87 GABRP (0.40) ALDH1A1MEN1KMT2ACNR2MAPT
SCHEMBL2206844 0.86 PRKCI (0.40) PRKCIALDH1A1MEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL3355963 0.85 PRKCI (0.39) PRKCIALDH1A1MEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL3352601 0.85 PRKCI (0.39) PRKCIALDH1A1MEN1KMT2AHSD17B10
SCHEMBL14054854 0.84 TYR (0.43) ALDH1A1MEN1KMT2AMAPTNR1I2
SCHEMBL1217617 0.84 TYR (0.43) ALDH1A1MEN1KMT2AMAPTNR1I2
Acetic Acid SCHEMBL6139766 0.82 PRKCI (0.41) PRKCIALDH1A1MEN1KMT2AHSD17B10
Formamide SCHEMBL6342969 0.81 PRKCI (0.36) PRKCIALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5619271 0.81 PRKCI (0.38) PRKCIALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2161703 0.80 PARP1 (0.36) ALDH1A1MEN1KMT2AHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069447-A1 Acetal hydroxylamine compounds BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2003-04-10 US disclosed
EP-1255727-A1 ACETAL HYDROXYLAMINE COMPOUNDS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-11-13 EP disclosed
WO-2001060785-A1 ACETAL HYDROXYLAMINE COMPOUNDS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-08-23 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-20030069447-A1 Acetal hydroxylamine compounds HRH3, H1-0, HNMT PRKCI 4282/4885ALDH1A1 123/4885MEN1 260/4885

“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.