SCHEMBL1611546

SCHEMBL1611546

C/C=[C]/c1ccc(C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 3/20 0.31
TSHR P16473 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
LMNA P02545 1/20 0.31
CYP19A1 P11511 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
SCHEMBL1611293 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1609580 0.75
SCHEMBL7915183 0.74 ALDH1A1 (0.43) ALDH1A1TDP1TSHRPRSS1PRSS2
SCHEMBL1610848 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1609637 0.72 ALDH1A1 (0.48) ALDH1A1TDP1TSHRLMNA
SCHEMBL1611828 0.70 CNR1 (0.30) ALDH1A1
SCHEMBL1611796 0.70 ALDH1A1 (0.40) ALDH1A1TDP1TSHRPRSS1PRSS2
SCHEMBL1436903 0.70 CYP2A6 (0.52) ALDH1A1
SCHEMBL29814587 0.70 CYP2A6 (0.52) ALDH1A1
SCHEMBL8879605 0.70 ALDH1A1 (0.40) ALDH1A1TDP1TSHRPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ALDH1A1 137/4885TDP1 2129/4885TSHR 2994/4885

“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.