SCHEMBL4632876

SCHEMBL4632876

[CH2]COCCCOCCCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.33
CES2 O00748 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 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
SCHEMBL11523839 0.94 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL7478498 0.94 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL222083 0.94 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL615987 0.94 TSHR (0.52) TSHRCYP3A4MEN1THRBHTT
SCHEMBL19445 0.94
SCHEMBL6177307 0.92 TSHR (0.50) TSHRCYP3A4MEN1THRBHTT
SCHEMBL6176446 0.92 TSHR (0.50) TSHRCYP3A4MEN1THRBHTT
SCHEMBL28424078 0.92
SCHEMBL2765287 0.92
SCHEMBL4398157 0.89 TSHR (0.40) TSHRCYP3A4MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 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 (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-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 TSHR 2576/4885CYP3A4 1620/4885MEN1 18/4885

“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.