SCHEMBL1153725

SCHEMBL1153725

COc1c(C)c2c(c(OC(=O)C(C)(C)C)c1CC=C(C)CCC(=O)OCCN1CCCCC1)C(=O)OC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
LMNA P02545 2/20 0.68
HPGD P15428 2/20 0.68
ABCC4 O15439 1/20 0.68
NR1I2 O75469 1/20 0.68
ABCB11 O95342 1/20 0.68
SLC6A4 P31645 1/20 0.68
KCNH2 Q12809 1/20 0.68
PDE3A Q14432 1/20 0.68
IMPDH2 P12268 18/20 0.57
IMPDH1 P20839 15/20 0.57
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54

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
SCHEMBL1153722 1.00 ALDH1A1 (0.68) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9807908 0.93 ALDH1A1 (0.79) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9807906 0.93 ALDH1A1 (0.79) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL9815239 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL9815238 0.93 ALDH1A1 (0.78) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9449376 0.90 ALDH1A1 (0.71) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9449381 0.90 ALDH1A1 (0.71) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL1152500 0.88 ALDH1A1 (0.86) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL1153064 0.88 ALDH1A1 (0.86) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL1153069 0.88 ALDH1A1 (0.86) ALDH1A1LMNAHPGDABCC4NR1I2

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-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-5177072-A Treatment of autoimmune inflammatory, and psoriatic diseases with heterocyclic aminoalkyl esters of mycophenolic acid and derivatives SYNTEX (U.S.A.) INC. (US) 1993-01-05 US disclosed
US-4861776-A Heterocyclic aminoalkyl esters of mycophenolic acid and derivatives thereof, compositions and use SYNTEX (U.S.A) INC. (US) 1989-08-29 US disclosed
US-4727069-A ANTIBODY INHIBITORS, ANTIINFLAMMATORY, ANTITUMOR AGENTS, VIRICIDES, AND ANTIPSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-02-23 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 (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 ALDH1A1 3453/4885LMNA 156/4885HPGD 2731/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS ALDH1A1 3453/4885LMNA 156/4885HPGD 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.