SCHEMBL3278764

SCHEMBL3278764

O=C(O)C1CCC(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
AKR1C3 P42330 1/20 0.62
AKR1C1 Q04828 1/20 0.62
DGAT1 O75907 2/20 0.49
SOAT1 P35610 1/20 0.49
MMP3 P08254 2/20 0.46
KDM1A O60341 3/20 0.44
MAOB P27338 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
BRD4 O60885 1/20 0.42
DEGS1 O15121 1/20 0.42
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR2 O15552 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
SCHEMBL664284 0.88 NPC1 (0.79) NPC1RAB9AAKR1C3AKR1C1DGAT1
SCHEMBL2511695 0.88 NPC1 (0.79) NPC1RAB9AAKR1C3AKR1C1DGAT1
SCHEMBL3516198 0.88 NPC1 (0.79) NPC1RAB9AAKR1C3AKR1C1DGAT1
SCHEMBL4449225 0.86 NPC1 (0.76) NPC1RAB9AAKR1C3AKR1C1DGAT1
SCHEMBL27478716 0.86 NPC1 (0.76) NPC1RAB9AAKR1C3AKR1C1DGAT1
SCHEMBL4444928 0.86 NPC1 (0.76) NPC1RAB9AAKR1C3AKR1C1DGAT1
Hydrochloric Acid SCHEMBL10892943 0.86 NPC1 (0.76) NPC1RAB9AAKR1C3AKR1C1DGAT1
Biphenyl SCHEMBL7611759 0.86 RAB9A (0.74) NPC1RAB9AAKR1C3AKR1C1MEN1
Biphenyl SCHEMBL11881576 0.86 RAB9A (0.74) NPC1RAB9AAKR1C3AKR1C1MEN1
SCHEMBL3302853 0.84 NPC1 (0.71) NPC1RAB9AKDM1AMAOBDEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC NPC1 1204/4885RAB9A 714/4885AKR1C3 2419/4885

“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.