SCHEMBL1609453

SCHEMBL1609453

CCC/C=[C]\c1cccc2cc3ccccc3cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
NR1I2 O75469 1/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 4/20 0.32
HSD17B10 Q99714 2/20 0.32
RAB9A P51151 2/20 0.32
ATM Q13315 2/20 0.32
HPGD P15428 1/20 0.32
HTR2A P28223 1/20 0.32
NQO1 P15559 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2A6 P11509 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
HIF1A Q16665 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
SCHEMBL1611797 0.90 MEN1 (0.35) ALDH1A1KDM4EGAANR1I2MEN1
SCHEMBL1610267 0.89 MAPT (0.35) ALDH1A1KDM4EGAANR1I2MEN1
SCHEMBL1611237 0.88 MAPT (0.37) MEN1KMT2AMAPTATMNPC1
SCHEMBL1611119 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EGAANR1I2MEN1
SCHEMBL1610598 0.86 CHAT (0.38) ALDH1A1CYP1A2HSD17B10HPGDCYP2A6
SCHEMBL1612209 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL1609255 0.77 NR1I2 (0.39) ALDH1A1KDM4EGAANR1I2MEN1
SCHEMBL1609445 0.77 HTR1B (0.37) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL27293170 0.77 HTR1B (0.37) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL1610676 0.75 CNR1 (0.38) ALDH1A1KDM4EGAAMEN1KMT2A

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 137/4885KDM4E 1272/4885GAA 4626/4885

“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.