SCHEMBL1152003

SCHEMBL1152003

CN(C)CCOc1ccc(/C(=C(/c2ccc(O)cc2)C(F)(F)F)c2ccc(O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.61
ESRRG P62508 10/20 0.58
ESRRB O95718 6/20 0.58
ESR2 Q92731 5/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PLD2 O14939 1/20 0.58
PGR P06401 1/20 0.58
PLD1 Q13393 1/20 0.58
ESRRA P11474 2/20 0.55
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.52

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
SCHEMBL1152006 1.00 ESR1 (0.61) ESR1ESRRGESRRBESR2KDM4E
Hydrochloric Acid SCHEMBL10484419 0.99 ESR1 (0.60) ESR1ESRRGESRRBESR2KDM4E
Hydrochloric Acid SCHEMBL10484410 0.99 ESR1 (0.60) ESR1ESRRGESRRBESR2KDM4E
SCHEMBL5080339 0.95 ESR1 (0.70) ESR1ESRRGESRRBESR2KDM4E
SCHEMBL10484026 0.95 ESR1 (0.70) ESR1ESRRGESRRBESR2KDM4E
SCHEMBL1151837 0.95 ESR1 (0.70) ESR1ESRRGESRRBESR2KDM4E
SCHEMBL10484358 0.95 ESR1 (0.70) ESR1ESRRGESRRBESR2KDM4E
Hydrochloric Acid SCHEMBL10484012 0.94 ESR1 (0.68) ESR1ESRRGESRRBESR2KDM4E
Hydrochloric Acid SCHEMBL10484008 0.94 ESR1 (0.68) ESR1ESRRGESRRBESR2KDM4E
SCHEMBL10483993 0.89 ESRRG (0.53) ESR1ESRRGESRRBESR2KDM4E

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-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
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed
US-4806685-A EXERTS VARIOUS EFFECTS ON ENDOCRINOUS SYSTEM OF RATS; INHIBITS GROWTH OF MAMMARY TUMORS GYOGYSZERKUTATO INTEEZET/PHARMACEUTICAL RESEARCH INSTITUTE (HU) 1989-02-21 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 ESR1 4577/4885ESRRG 1633/4885ESRRB 4733/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS ESR1 4577/4885ESRRG 1633/4885ESRRB 4733/4885

“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.