SCHEMBL1612352

SCHEMBL1612352

CCCCC/C=[C]\c1c2ccccc2cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 4/20 0.37
ATM Q13315 2/20 0.37
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 2/20 0.35
ABCB11 O95342 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTR2A P28223 1/20 0.35
CYP2A6 P11509 1/20 0.35
RAB9A P51151 4/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL1611102 0.98 MAPT (0.42) MAPTMEN1KMT2ANPC1ATM
SCHEMBL1610913 0.95 MAPT (0.38) MAPTMEN1KMT2ANPC1ATM
SCHEMBL1609255 0.88 NR1I2 (0.39) MAPTMEN1KMT2AATMNR1I2
SCHEMBL1609745 0.80 HTR2A (0.41) MEN1KMT2ANR1I2ALDH1A1CYP1A2
SCHEMBL1610267 0.80 MAPT (0.35) MAPTMEN1KMT2ANPC1ATM
SCHEMBL1610676 0.79 CNR1 (0.38) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL714524 0.78 TLR8 (0.37) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL1611237 0.78 MAPT (0.37) MAPTMEN1KMT2ANPC1ATM
SCHEMBL1612559 0.78 CHAT (0.40) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL1611367 0.76 GAA (0.42) MAPTMEN1KMT2ANPC1ATM

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 3838/4885MEN1 2360/4885KMT2A 557/4885

“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.