SCHEMBL3042985

SCHEMBL3042985

CC1(C)CCc2cc(I)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 2/20 0.45
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PKLR P30613 1/20 0.42
COXFA4 O00483 1/20 0.42
CTSB P07858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRIM24 O15164 1/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
PDE10A Q9Y233 1/20 0.40
MGAM O43451 3/20 0.39
GAA P10253 3/20 0.39
SI P14410 3/20 0.39
MGAM2 Q2M2H8 3/20 0.39

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
SCHEMBL12036000 0.81 MAPT (0.40) MAPTGAA
SCHEMBL6849624 0.80 PKM (0.49) MAPTNPC1RAB9APKMKDM1A
SCHEMBL30991570 0.79 AKT1 (0.56) MAPTNPC1RAB9APKMKDM1A
SCHEMBL30888534 0.79 MAPT (0.47) MAPTNPC1RAB9APKMKDM1A
SCHEMBL3701015 0.79 AKT1 (0.56) MAPTNPC1RAB9APKMKDM1A
SCHEMBL3184205 0.79 AKT1 (0.56) MAPTNPC1RAB9APKMKDM1A
SCHEMBL8894557 0.79 MAPT (0.47) MAPTNPC1RAB9APKMKDM1A
SCHEMBL6025550 0.79 PKM (0.48) MAPTNPC1RAB9APKMKDM1A
SCHEMBL669764 0.79 MAPT (0.47) MAPTNPC1RAB9APKMKDM1A
SCHEMBL27634797 0.78 KDM1A (0.52) MAPTNPC1RAB9APKMKDM1A

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
EP-2142493-B1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERISATION CENTRE NAT RECH SCIENT (FR) 2019-03-27 EP disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
US-8273768-B2 Iso CA-4 and analogues thereof as potent cytotoxic agents inhibiting tubuline polymerization CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-09-25 US disclosed
US-20100129471-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2010-05-27 US disclosed
EP-2142493-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERISATION Centre National de la Recherche Scientifique (CNRS) (FR) 2010-01-13 EP disclosed
WO-2008122620-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERISATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-10-16 WO disclosed
CN-1150425-A Cyclobut-3-ene-1,2-dione derivatives as smooth muscle relaxants AMERICAN HOME PROD (US) 1997-05-21 CN 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-20100129471-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERIZATION TUBB4A, TUBA4A, TUBB4B MAPT 81/4885NPC1 1704/4885RAB9A 835/4885

“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.