SCHEMBL5730896

SCHEMBL5730896

CCCCC[CH]C(C)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
PLA2G10 O15496 1/20 0.34
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
OPRM1 P35372 1/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DNM1 Q05193 1/20 0.31

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
SCHEMBL9545524 0.93 TSHR (0.36) TSHRALDH1A1
SCHEMBL28125990 0.82 TSHR (0.30) TSHRALDH1A1
SCHEMBL6567800 0.80 TSHR (0.40) TSHRFAAHTRPV1OPRM1THRB
SCHEMBL28314155 0.78 TSHR (0.44) TSHRFAAHTRPV1THRBCNR1
SCHEMBL7698918 0.78 DNM1 (0.40) TSHRFAAHTRPV1OPRM1THRB
SCHEMBL27682275 0.78 TSHR (0.44) TSHRFAAHTRPV1THRBCNR1
SCHEMBL10588790 0.78 TSHR (0.44) TSHRFAAHTRPV1THRBCNR1
SCHEMBL11091492 0.78 TSHR (0.44) TSHRFAAHTRPV1THRBCNR1
SCHEMBL1901792 0.78 TSHR (0.44) TSHRFAAHTRPV1THRBCNR1
SCHEMBL1758426 0.78 TSHR (0.44) TSHRFAAHTRPV1THRBCNR1

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-1008346-B1 NF-kB INHIBITORS CONTAINING BENZOQUINONE DERIVATIVES DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-02-15 EP disclosed
US-6943196-B1 NF-κB inhibitor comprising phenylmethyl benzoquinone as the active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-09-13 US disclosed
US-20040030129-A1 NF-kappaB inhibitor comprising phenylmethyl benzoquinone as an active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-12 US disclosed
EP-1008346-A1 NF-$g(k)B INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT PHENYLMETHYL BENZOQUINONE SUNTORY LIMITED (JP) 2000-06-14 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-20040030129-A1 NF-kappaB inhibitor comprising phenylmethyl benzoquinone as an active ingredient NFKBIA, NFKB2, NFKB1 TSHR 4822/4885PLA2G10 3436/4885FAAH 1585/4885

“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.