SCHEMBL13596196

SCHEMBL13596196

CCCc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 1/20 0.51
ADRB2 P07550 1/20 0.50
EPHX2 P34913 5/20 0.48
MAPK1 P28482 1/20 0.48
CNR2 P34972 7/20 0.47
CNR1 P21554 5/20 0.47
EPHX1 P07099 1/20 0.46
FAAH O00519 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
SCHEMBL13595535 0.86 ADRB2 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL13596178 0.84 ADRB2 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3627679 0.82 ADRB2 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3916568 0.82 ADRB2 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL13072323 0.81 ADRB2 (0.57) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL19798449 0.81 KMT2A (0.72) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3625638 0.76 ADRB2 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3921989 0.76 ADRB2 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9334741 0.74 TSHR (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1937671 0.72 NPC1 (0.84) NPC1RAB9AMEN1KMT2AALDH1A1

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 NPC1 2658/4885RAB9A 3676/4885MEN1 3670/4885

“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.