SCHEMBL797176

SCHEMBL797176

CCCC[Hf]1(CCCC)C2C(CC)=C(c3c2ccc2ccccc32)C(C)(C)C2=C(CC)C1c1ccc3ccccc3c12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
DRD2 P14416 1/20 0.32
SLC6A4 P31645 1/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL7602713 0.84 HTR1A (0.37) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL796360 0.79 MEN1 (0.32) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL796938 0.78 DRD2 (0.30) DRD2SLC6A4
SCHEMBL796713 0.72 HTR7 (0.38) HTR1AHTR7DRD2SLC6A4TLR8
SCHEMBL797793 0.70 MEN1 (0.33) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL797522 0.70 MEN1 (0.35) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL797107 0.63 SLC6A4 (0.32) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL796650 0.63 KCNH2 (0.32) MAPT
SCHEMBL797517 0.63 SLC6A4 (0.32) GAADRD2SLC6A4TLR8
SCHEMBL797210 0.62 GAA (0.32) GAATLR8

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 HTR1A 441/4885HTR7 803/4885HTR2B 1320/4885

“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.