SCHEMBL14477305

SCHEMBL14477305

COc1ccc(C(=O)C2CCCC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 5/20 0.50
CPS1 P31327 1/20 0.50
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45

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
SCHEMBL4839335 0.82 KDM2B (0.50) KDM2BCPS1ALDH1A1MEN1KMT2A
SCHEMBL7423445 0.82 KDM2B (0.50) KDM2BCPS1ALDH1A1MEN1KMT2A
SCHEMBL5280460 0.81 KDM2B (0.49) KDM2BCPS1ALDH1A1MEN1KMT2A
SCHEMBL30514010 0.81 CPS1 (0.70) KDM2BCPS1MEN1KMT2A
SCHEMBL1942608 0.81 CPS1 (0.70) KDM2BCPS1MEN1KMT2A
SCHEMBL10192440 0.79 MAPK1 (0.46) JAK2TYK2ALDH1A1RAB9AMAPT
SCHEMBL1340897 0.79 NOS2 (0.48) KDM2BCPS1ALDH1A1MEN1KMT2A
SCHEMBL4113759 0.79 MAPT (0.61) KDM2BCPS1ALDH1A1RAB9AMAPT
SCHEMBL4115692 0.79 KDM2B (0.47) KDM2BCPS1ALDH1A1MEN1KMT2A
SCHEMBL24101676 0.78 MGLL (0.45) KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073819-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2015-07-07 US disclosed
US-9073819-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2015-07-07 US disclosed
US-20140221473-A1 Compositions, Methods of Use, and Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2014-08-07 US disclosed
US-20140221473-A1 Compositions, Methods of Use, and Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2014-08-07 US disclosed
WO-2013003669-A2 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (US) 2013-01-03 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-20140221473-A1 Compositions, Methods of Use, and Methods of Treatment KCNQ5, KCNQ3, KCNQ2 KDM2B 359/4885CPS1 1536/4885JAK2 1331/4885

“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.