SCHEMBL1788508

SCHEMBL1788508

COCCOCCOCCOCCCCCCBr

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CA2 P00918 1/20 0.36
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL17392756 1.00 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL12608306 1.00 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL10976798 0.97 MEN1 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL6545066 0.97 MEN1 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL6409925 0.97 MEN1 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL9529889 0.91 ALDH1A1 (0.31) MEN1THRBHTTKMT2AMAPT
SCHEMBL23512039 0.90 CYP3A4 (0.34) MEN1THRBHTTKMT2AMAPT
SCHEMBL1841223 0.90
SCHEMBL19344722 0.89 BLM (0.32) MEN1THRBHTTKMT2AMAPT
SCHEMBL12754636 0.87 MEN1 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772540-B2 Thermal responsive molecule KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2014-07-08 US disclosed
US-20110124916-A1 THERMAL RESPONSIVE MOLECULE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2011-05-26 US disclosed
US-6699954-B2 FOR FORMING THIN LAYER BEING SANDWICHED BETWEEN TWO ELECTRODES; ELECTROLUMINESCENT DIODE (LED) UNIVERSITE JOSEPH FOURIER (FR) 2004-03-02 US disclosed
US-20020099157-A1 Monomers, polymers incorporating said monomers and their use in organic electroluminescent devices UNIVERSITY JOSEPH FOURIER (FR) 2002-07-25 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 (1 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-20110124916-A1 THERMAL RESPONSIVE MOLECULE HEATR1, HEATR6, HSPH1 MEN1 3476/4885THRB 863/4885HTT 757/4885

“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.