SCHEMBL1152610

SCHEMBL1152610

Oc1ccc(C(CCBr)=C(c2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.69
ESR2 Q92731 6/20 0.62
CYP19A1 P11511 4/20 0.62
ESRRB O95718 2/20 0.58
PTGS2 P35354 3/20 0.51
ESRRG P62508 2/20 0.50

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
SCHEMBL1152608 1.00 ESR1 (0.69) ESR1ESR2CYP19A1ESRRBPTGS2
SCHEMBL11206207 0.93 ESR1 (0.61) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL11206212 0.93 ESR1 (0.61) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL1151987 0.83 ESR1 (0.71) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL1151879 0.83 ESR1 (0.71) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL1151986 0.83 ESR1 (0.71) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL5725055 0.83 ESR1 (0.71) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL2229348 0.83 ESR1 (0.71) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL1151880 0.83 ESR1 (0.71) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL19195049 0.81 ESR1 (1.00) ESR1ESR2CYP19A1ESRRBPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6100485-A None JP disclosed
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
JP-H06100485-A PREPARATION OF NEW ALKENE DERIVATIVE FARMOS YHTYMAE OY 1994-04-12 JP disclosed
US-4996225-A Antitumor agents FARMOS GROUP LTD. (FI) 1991-02-26 US disclosed
US-4696949-A ANTITUMOR AGENTS, ANTIESTROGENS FARMOS GROUP LTD. (FI) 1987-09-29 US disclosed
EP-0095875-B1 NOVEL TRI-PHENYL ALKANE AND ALKENE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-09-10 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 ESR1 4577/4885ESR2 4164/4885CYP19A1 4479/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS ESR1 4577/4885ESR2 4164/4885CYP19A1 4479/4885

“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.