SCHEMBL1152811

SCHEMBL1152811

COC1CCC(C2=C(O)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
TP53 P04637 3/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
HIF1A Q16665 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
IDO1 P14902 3/20 0.39
RAB9A P51151 4/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 5/20 0.38
CDC25B P30305 5/20 0.38
CDC25A P30304 3/20 0.38
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL1152166 0.84 MAPT (0.45) MAPTTP53HPGDLMNACYP1A2
SCHEMBL8136452 0.83 MAPT (0.51) MAPTTP53HPGDLMNACYP1A2
SCHEMBL9682118 0.82 IDO1 (0.44) MAPTTP53HPGDLMNACYP1A2
SCHEMBL9857346 0.80 APAF1 (0.54) MAPTTP53HPGDLMNACYP1A2
SCHEMBL1152737 0.80 MAPT (0.44) MAPTTP53HPGDLMNACYP1A2
SCHEMBL1152658 0.80 MAPT (0.41) MAPTTP53HPGDLMNACYP1A2
SCHEMBL1152475 0.80 MAPT (0.51) MAPTTP53HPGDLMNACYP1A2
SCHEMBL9857552 0.80 MAPT (0.62) MAPTTP53HPGDLMNACYP1A2
SCHEMBL1152730 0.79 IDO1 (0.44) MAPTTP53HPGDLMNACYP1A2
Parvaquone SCHEMBL916441 0.79 APAF1 (0.52) MAPTTP53HPGDLMNACYP1A2

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-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-5175319-A Antiprotozoa agent, useful for treating malaria, theileriosis, coccidiosis and prophylaxix BURROUGHS WELLCOME CO. (US) 1992-12-29 US disclosed
US-5053432-A Antiprotozoa agents; treatment of malaria BURROUGHS WELLCOME CO. (US) 1991-10-01 US disclosed
EP-0123238-B1 NAPHTHOQUINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1987-06-10 EP disclosed
EP-0123238-A2 Naphthoquinone derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP 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 (2 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS MAPT 1583/4885TP53 3713/4885HPGD 2731/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS MAPT 1583/4885TP53 3713/4885HPGD 2731/4885

“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.