SCHEMBL13596177

SCHEMBL13596177

COc1cccc(OC)c1CNC(=O)Cc1cccc(CC(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ADRB2 P07550 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
PTPN1 P18031 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
SLC7A5 Q01650 1/20 0.42

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
SCHEMBL13072317 0.90 MEN1 (0.50) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13595504 0.84 KMT2A (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL23903309 0.76 LMNA (0.52) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL4259890 0.76 ADRB2 (0.79) ADRB2
SCHEMBL4259878 0.76 ADRB2 (0.79) ADRB2
SCHEMBL24500947 0.75 SLC7A5 (0.46) MEN1KMT2APOLBSLC7A5
SCHEMBL14204684 0.75 SLC7A5 (0.68) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL1801128 0.73 NPC1 (0.80) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13596219 0.73 ADRB2 (0.63) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL1205417 0.72 HIF1A (0.52) KMT2ANPC1RAB9APOLBHTT

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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 MEN1 3670/4885KMT2A 4412/4885NPC1 2658/4885

“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.