SCHEMBL797798

SCHEMBL797798

CCCC[Hf]1(CCCC)C2C(CC)=C(CCC3=C(CC)C1c1cccc(-c4ccccc4)c13)c1c(-c3ccccc3)cccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.36
HTR1A P08908 5/20 0.36
DRD2 P14416 2/20 0.32
CHRM3 P20309 6/20 0.31
SOAT1 P35610 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL797677 0.87 HTR1A (0.34) HTR7HTR1ADRD2CHRM3SOAT1
SCHEMBL7603055 0.84 HTR7 (0.37) HTR7HTR1ADRD2CYP19A1CYP11B1
SCHEMBL796719 0.83 BCHE (0.36) BCHEACHE
SCHEMBL797306 0.82 SOAT1 (0.30) HTR7HTR1ASOAT1BCHEACHE
SCHEMBL797728 0.81
SCHEMBL796599 0.79 HTR1A (0.31) HTR7HTR1ABCHEACHECYP19A1
SCHEMBL796713 0.74 HTR7 (0.38) HTR7HTR1ADRD2
SCHEMBL7598778 0.74 BRD4 (0.33) HTR7HTR1ADRD2CYP19A1CYP11B1
SCHEMBL796457 0.71 BCHE (0.36) BCHEACHE
SCHEMBL797047 0.71

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 HTR7 803/4885HTR1A 441/4885DRD2 654/4885

“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.