SCHEMBL78780

SCHEMBL78780

OCC#Cc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.47
PDE2A O00408 2/20 0.39
PGK1 P00558 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
MCL1 Q07820 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 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
SCHEMBL80997 0.87 ALDH1A1 (0.55) ALDH1A1HTTGAAPTGDR2PDE2A
SCHEMBL18586815 0.80 ALDH1A1 (0.41) ALDH1A1HTTGAAPTGDR2PDE2A
SCHEMBL4057890 0.78 AR (0.48) ALDH1A1HTTGAA
SCHEMBL13464023 0.78 ALDH1A1 (0.42) ALDH1A1HTTGAAPTGDR2MRGPRX4
SCHEMBL2651995 0.77 PTGDR2 (0.43) ALDH1A1HTTPTGDR2PDE2AMRGPRX4
SCHEMBL80691 0.77 PGK1 (0.43) ALDH1A1HTTGAAPTGDR2PGK1
SCHEMBL7094037 0.76 PTGDR2 (0.41) ALDH1A1HTTPTGDR2PDE2AMRGPRX4
SCHEMBL5545019 0.75 PTGDR2 (0.40) ALDH1A1HTTPTGDR2PDE2AMRGPRX4
SCHEMBL4367917 0.73 PDE2A (0.39) ALDH1A1PTGDR2PDE2AMRGPRX4MEN1
SCHEMBL1922380 0.73 PTGDR2 (0.50) ALDH1A1PTGDR2MRGPRX4MCL1MEN1

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 6 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-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
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 ALDH1A1 646/4885HTT 3158/4885GAA 1918/4885

“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.