SCHEMBL4514477

SCHEMBL4514477

O=C1C2CC3OC3CC2C(=O)N1CCCCl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 1/20 0.30

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
SCHEMBL14191452 0.86 MEN1 (0.48) ALDH1A1MEN1KMT2AESR1POLB
SCHEMBL258856 0.84 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AESR1POLB
SCHEMBL7485374 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AESR1POLB
SCHEMBL13606475 0.81 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2AESR1POLB
SCHEMBL14191451 0.76 KDM4E (0.30) TDP1RAB9A
SCHEMBL4537122 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AESR1POLB
SCHEMBL740320 0.75 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AESR1POLB
SCHEMBL12892816 0.74 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AESR1POLB
SCHEMBL14160658 0.74 MEN1 (0.38) ALDH1A1MEN1KMT2AESR1POLB
SCHEMBL962223 0.72 MAPT (0.39) ALDH1A1BLMHSD17B10

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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A ALDH1A1 50/4885MEN1 3296/4885KMT2A 1424/4885

“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.