SCHEMBL1611102

SCHEMBL1611102

CCCCCC/C=[C]\c1c2ccccc2cc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
NPC1 O15118 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ATM Q13315 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 4/20 0.35
RAB9A P51151 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 2/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
RAD52 P43351 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL1612352 0.98 MAPT (0.40) MAPTNPC1MEN1KMT2AATM
SCHEMBL1610913 0.93 MAPT (0.38) MAPTNPC1MEN1KMT2AATM
SCHEMBL1609255 0.86 NR1I2 (0.39) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL1611237 0.80 MAPT (0.37) MAPTNPC1MEN1KMT2AATM
SCHEMBL1612559 0.79 CHAT (0.40) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL1609745 0.79 HTR2A (0.41) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL1610267 0.78 MAPT (0.35) MAPTNPC1MEN1KMT2AATM
SCHEMBL1610676 0.77 CNR1 (0.38) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL714524 0.77 TLR8 (0.37) NPC1MEN1KMT2AALDH1A1HTT
SCHEMBL1610099 0.77 MAPT (0.44) MAPTNPC1MEN1KMT2AATM

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 3838/4885NPC1 3543/4885MEN1 2360/4885

“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.