SCHEMBL1609255

SCHEMBL1609255

CCC/C=[C]\c1c2ccccc2cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
HTR2A P28223 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.34
CYP1B1 Q16678 2/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
TLR8 Q9NR97 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL1610913 0.89 MAPT (0.38) NR1I2HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL1612352 0.88 MAPT (0.40) NR1I2HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL1611102 0.86 MAPT (0.42) NR1I2HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL1609745 0.85 HTR2A (0.41) NR1I2HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL1609453 0.77 ALDH1A1 (0.34) NR1I2HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL1610598 0.76 CHAT (0.38) ALDH1A1HSD17B10CYP1A2CYP2A6HPGD
SCHEMBL1611078 0.76 ALDH1A1 (0.39) HTR2AL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1610694 0.73 NR1I2 (0.44) NR1I2HTR2AL3MBTL1ALDH1A1MEN1
SCHEMBL714524 0.73 TLR8 (0.37) L3MBTL1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1612728 0.71 CYP1A2 (0.32) ALDH1A1CYP1A2CYP2A6TSHRCYP2C19

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 NR1I2 651/4885HTR2A 599/4885L3MBTL1 236/4885

“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.