SCHEMBL80164

SCHEMBL80164

CCN(CC)C(=O)CC(CC(=O)c1ccc(OC)c(C(F)(F)F)c1)(C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
BLM P54132 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PDE4B Q07343 1/20 0.37
TSHR P16473 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
ROCK2 O75116 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36

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
SCHEMBL80694 0.81 APP (0.44) PDE4BALDH1A1KDM4EMITFHTT
SCHEMBL80165 0.76 ALDH1A1 (0.45) THRATHRBTSHRROCK2MEN1
SCHEMBL86769 0.74 ALDH1A1 (0.47) THRATHRBTSHRSIRT1ROCK2
SCHEMBL81878 0.73 GSK3B (0.50) THRATHRBCYP1A2TSHRSIRT1
SCHEMBL12336977 0.73 THRA (0.45) THRATHRBCYP1A2TSHRSIRT1
SCHEMBL29638911 0.72 THRA (0.46) THRATHRBCYP1A2TSHRSIRT1
SCHEMBL21176907 0.72 THRA (0.46) THRATHRBCYP1A2TSHRSIRT1
SCHEMBL615379 0.72 CA12 (0.62) TSHRALDH1A1RARARARBRARG
SCHEMBL14776123 0.72 HSD17B2 (0.60) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL16140749 0.71 THRA (0.41) THRATHRBTSHRSIRT1ROCK2

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
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 (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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C THRA 1980/4885THRB 1455/4885CYP1A2 355/4885

“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.