SCHEMBL797236

SCHEMBL797236

CCCC[Hf]1(CCCC)C2C(C)=C(CCC3=C(C)C1c1ccc4ccccc4c13)c1c2ccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.35
DRD2 P14416 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HTR7 P34969 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GAA P10253 1/20 0.33
BCHE P06276 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 0.31
TLR8 Q9NR97 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
SCHEMBL7602764 0.80 ALDH1A1 (0.35) SLC6A4KDM4EALDH1A1MAPTHPGD
SCHEMBL797677 0.79 HTR1A (0.34) DRD2HTR7HTR1ABCHE
SCHEMBL797580 0.75 SLC6A4 (0.33) SLC6A4DRD2KDM4EALDH1A1HTR7
SCHEMBL797176 0.73 HTR1A (0.34) SLC6A4DRD2KDM4EALDH1A1MAPT
SCHEMBL797107 0.72 SLC6A4 (0.32) SLC6A4DRD2KDM4EALDH1A1MAPT
SCHEMBL796938 0.71 DRD2 (0.30) SLC6A4DRD2
SCHEMBL796713 0.69 HTR7 (0.38) SLC6A4DRD2HTR7HTR1ACNR1
SCHEMBL5351880 0.69 ALDH1A1 (0.35) SLC6A4KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6526039 0.69 ALDH1A1 (0.35) KDM4EALDH1A1MAPTHPGDHTR7
SCHEMBL797632 0.69

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-6586554-B1 Polyarylene and method for production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed
US-20030116755-A1 Polyacene derivatives and production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-06-26 US disclosed
EP-1262469-A1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-12-04 EP disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 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-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 SLC6A4 3564/4885DRD2 654/4885KDM4E 1200/4885

“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.