SCHEMBL13596178

SCHEMBL13596178

CC(C)Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.59
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
EPHX2 P34913 7/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.45
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3627679 0.91 ADRB2 (0.58) ADRB2MEN1KMT2AALDH1A1NPC1
SCHEMBL3916568 0.91 ADRB2 (0.58) ADRB2MEN1KMT2AALDH1A1NPC1
SCHEMBL13072323 0.90 ADRB2 (0.57) ADRB2MEN1KMT2AALDH1A1NPC1
SCHEMBL13595535 0.88 ADRB2 (0.52) ADRB2MEN1KMT2AALDH1A1NPC1
SCHEMBL3921989 0.84 ADRB2 (0.58) ADRB2MEN1KMT2AALDH1A1NPC1
SCHEMBL3625638 0.84 ADRB2 (0.58) ADRB2MEN1KMT2AALDH1A1NPC1
SCHEMBL13596196 0.84 NPC1 (0.54) ADRB2MEN1KMT2AALDH1A1NPC1
SCHEMBL3914874 0.80 ADRB2 (0.75) ADRB2MAPK1
SCHEMBL13840705 0.80 ADRB2 (0.75) ADRB2MAPK1
SCHEMBL19798449 0.80 KMT2A (0.72) MEN1KMT2AALDH1A1NPC1RAB9A

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 ADRB2 2/4885MEN1 3670/4885KMT2A 4412/4885

“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.