SCHEMBL3277907

SCHEMBL3277907

CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(F)c(Cl)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CA2 P00918 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LSS P48449 3/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11211399 0.96 LSS (0.39) HPGDATMCNR1CNR2CA2
SCHEMBL11211401 0.96 LSS (0.39) HPGDATMCNR1CNR2CA2
SCHEMBL3285878 0.92 HPGD (0.40) HPGDATMCA2HTTKMT2A
SCHEMBL11034715 0.92 HPGD (0.40) HPGDATMCA2HTTKMT2A
SCHEMBL8376572 0.92 CHRNA3 (0.40) HPGDATMCA2GAAMAPT
SCHEMBL8376575 0.92 CHRNA3 (0.40) HPGDATMCA2GAAMAPT
SCHEMBL8376578 0.92 CHRNA3 (0.40) HPGDATMCA2GAAMAPT
SCHEMBL10801575 0.91 CYP2C9 (0.39) HPGDATMCNR1CNR2CA2
SCHEMBL7515368 0.90 TDP1 (0.41) ATMCA2GAAMAPTHTT
SCHEMBL8377253 0.90 TDP1 (0.41) ATMCA2GAAMAPTHTT

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 HPGD 1603/4885ATM 2883/4885CNR1 4545/4885

“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.