SCHEMBL6337606

SCHEMBL6337606

C=C(c1ccc(Br)cc1)c1ccc(CCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.51
THRB P10828 7/20 0.51
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
RARB P10826 2/20 0.49
PLK1 P53350 1/20 0.49
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL9806331 0.91 THRA (0.59) THRATHRBRARBPLK1CA1
Ethylene SCHEMBL27589046 0.85 SMN1; SMN2 (0.56) THRATHRBPOLBCTDSP1NPC1
SCHEMBL687846 0.84 SMN1; SMN2 (0.59) POLBCTDSP1RARBNPC1NFKB1
SCHEMBL27881438 0.84 SMN1; SMN2 (0.59) POLBCTDSP1RARBNPC1NFKB1
SCHEMBL6546856 0.84 TRPV1 (0.55) THRATHRBRARBPLK1CA1
SCHEMBL11996483 0.82 SMN1; SMN2 (0.58) POLBCTDSP1RARBNPC1NFKB1
SCHEMBL6342564 0.82 POLB (0.58) THRATHRBPOLBCTDSP1RARB
SCHEMBL28575328 0.82 POLB (0.50) THRATHRBPOLBCTDSP1RARB
SCHEMBL28575326 0.82 POLB (0.50) THRATHRBPOLBCTDSP1RARB
SCHEMBL27589048 0.79 THRA (0.56) THRATHRBRARBPLK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD THRA 4378/4885THRB 2791/4885POLB 502/4885

“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.