SCHEMBL3278893

SCHEMBL3278893

CCCC1CCC(C2CCC(C(=O)OCC(=O)c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
MDM2 Q00987 1/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL3316537 0.90 NPC1 (0.52) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL3280139 0.87 MAPT (0.49) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL4575816 0.85 NPC1 (0.58) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL15746272 0.80 ALDH1A1 (0.64) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL17212624 0.79 ALDH1A1 (0.63) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL15395895 0.78 NPC1 (0.46) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL19318638 0.77 ALDH1A1 (0.60) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL18501413 0.77 NPC1 (0.50) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL17212625 0.77 NPC1 (0.50) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL10555303 0.76 CYP2C9 (0.50) NPC1RAB9AKMT2AALDH1A1MAPT

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 714/4885KMT2A 4115/4885

“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.