SCHEMBL3278501

SCHEMBL3278501

CCCCCCC1CCC(C(=O)Oc2ccc(OCC)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 3/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
F2 P00734 1/20 0.43
MEN1 O00255 1/20 0.42
ELANE P08246 1/20 0.42
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
S1PR5 Q9H228 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 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
SCHEMBL9402522 1.00 KMT2A (0.45) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL2208255 0.99 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL8046614 0.99 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11411629 0.96 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11411114 0.96 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11405474 0.96 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11408119 0.95 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL2785540 0.95 KMT2A (0.47) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL2604713 0.95 KMT2A (0.47) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11320217 0.92 TP53 (0.49) SMN1; SMN2TP53TSHRS1PR5NFKB1

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 7 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
US-5284956-A Liquid crystalline mixtures containing 2-(2-fluorophenyl) pyridines HOFFMANN-LA ROCHE INC. (US) 1994-02-08 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC KMT2A 4115/4885HTT 4469/4885SMN1; SMN2 4264/4885

“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.