SCHEMBL1611296

SCHEMBL1611296

[CH2]C=CCc1ccc(C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL590101 0.81 ALDH1A1 (0.39) MAPTTDP1ALDH1A1POLBESR1
SCHEMBL1733361 0.78 XDH (0.52) MAPTTDP1ALDH1A1POLBLMNA
SCHEMBL1734236 0.78 XDH (0.52) MAPTTDP1ALDH1A1POLBLMNA
SCHEMBL1610949 0.78 FFAR4 (0.31)
SCHEMBL1455258 0.76 AGXT (0.43) MAPTTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL2560484 0.76 ALDH1A1 (0.37) MAPTTDP1ALDH1A1POLBESR1
SCHEMBL1455261 0.76 AGXT (0.43) MAPTTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL1611548 0.74 ALDH1A1 (0.36) MAPTTDP1ALDH1A1POLBESR1
SCHEMBL1610979 0.73 IDO1 (0.50) TDP1POLBMAOB
SCHEMBL6284788 0.72 ALDH1A1 (0.42) MAPTTDP1ALDH1A1POLBESR1

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 MAPT 3838/4885TDP1 2129/4885ALDH1A1 137/4885

“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.