SCHEMBL7687634

SCHEMBL7687634

O=C(c1ccc(Br)cc1)c1ccc(OCCCCCCBr)cc1F

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 18/20 0.68
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
SRD5A2 P31213 1/20 0.43

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
SCHEMBL9068400 0.92 LSS (0.59) LSSMEN1KMT2ASRD5A2
SCHEMBL21113955 0.85 LSS (0.53) LSSMEN1KMT2A
SCHEMBL21114169 0.83 LSS (0.52) LSSMEN1KMT2ASRD5A2
SCHEMBL8478859 0.82 LSS (0.52) LSSMEN1KMT2A
SCHEMBL7681910 0.82 LSS (0.65) LSSMEN1KMT2A
SCHEMBL7681812 0.82 LSS (0.64) LSSMEN1KMT2ASRD5A2
SCHEMBL7677378 0.81 LSS (0.70) LSSMEN1KMT2A
SCHEMBL8045180 0.81 LSS (0.66) LSSMEN1KMT2A
SCHEMBL7681900 0.81 LSS (1.00) LSSMEN1KMT2A
SCHEMBL8760010 0.81 MAOB (0.57) LSSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
US-10143686-B2 Oxidosqualene cyclase as a protein target for anticancer therapeutics THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2018-12-04 US disclosed
US-20140005187-A1 OXIDOSQUALENE CYCLASE AS A PROTEIN TARGET FOR ANTICANCER THERAPEUTICS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2014-01-02 US disclosed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
CN-1067991-C Aminoalkyl subsetd. benzo-heterocyclic compounds HOFFMANN LA ROCHE (CH) 2001-07-04 CN disclosed
WO-2000076316-A1 METHODS RELATED TO METABOLISM OF PARASITES AND MYCOBACTERIA UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2000-12-21 WO disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
CN-1161328-A Aminoalkyl subsetd. benzo-heterocyclic compounds HOFFMANN LA ROCHE (CH) 1997-10-08 CN disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 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 (3 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 LSS 438/4885MEN1 3651/4885KMT2A 4674/4885
US-20140005187-A1 OXIDOSQUALENE CYCLASE AS A PROTEIN TARGET FOR ANTICANCER THERAPEUTICS HMGCR, DHCR7, CYP46A1 LSS 128/4885MEN1 2703/4885KMT2A 3327/4885
US-10143686-B2 Oxidosqualene cyclase as a protein target for anticancer therapeutics COASY, HCCS, OSBP LSS 26/4885MEN1 3695/4885KMT2A 3831/4885

“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.