SCHEMBL6409925

SCHEMBL6409925

COCCOCCCCBr

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 2/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6545066 1.00 MEN1 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL10976798 1.00 MEN1 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL12608306 0.97 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL17392756 0.97 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL1788508 0.97 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL23512039 0.92 CYP3A4 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL1841223 0.92
SCHEMBL9529889 0.88 ALDH1A1 (0.31) MEN1THRBHTTKMT2AMAPT
SCHEMBL19344722 0.87 BLM (0.32) MEN1THRBHTTKMT2AMAPT
SCHEMBL11995937 0.86 MEN1 (0.42) MEN1THRBHTTKMT2AMAPT

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-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
CN-102358750-A Helix 12 directed pharmaceutical products ENDORECH INC 2012-02-22 CN disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
CN-1930181-A Helix 12 directed steroidal drugs ENDORECH INC (CA) 2007-03-14 CN disclosed
US-20050250749-A1 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. 2005-11-10 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-20050250749-A1 Helix 12 directed pharmaceutical products SHBG, AR, NR5A1 MEN1 2170/4885THRB 742/4885HTT 367/4885
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 MEN1 4112/4885THRB 77/4885HTT 4305/4885

“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.