SCHEMBL797704

SCHEMBL797704

CCCC[Zr](CCCC)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SIGMAR1 Q99720 2/20 0.35
HTR7 P34969 4/20 0.34
HTR2B P41595 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
PGR P06401 1/20 0.33
ALOX12 P18054 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
MAOA P21397 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
SCHEMBL6638012 0.80 PNMT (0.40) PNMTNPC1RAB9ASIGMAR1HTR7
Hydrochloric Acid SCHEMBL27637494 0.75 PNMT (0.34) PNMTNPC1RAB9ASIGMAR1
SCHEMBL7602119 0.75 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30536713 0.75 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8755070 0.75 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
Hexane SCHEMBL8572947 0.73 PNMT (0.47) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL313686 0.73 PNMT (0.60) PNMTNPC1RAB9ASIGMAR1HTR7
Hexane SCHEMBL8201767 0.73 PNMT (0.47) PNMTNPC1RAB9ASIGMAR1HTR7
Fluorene SCHEMBL25291666 0.72 MAOA (0.50) PNMTNPC1RAB9ASIGMAR1HTR2B
SCHEMBL5823386 0.72 PNMT (0.58) PNMTNPC1RAB9ADRD2DRD4

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 PNMT 809/4885NPC1 1529/4885RAB9A 2392/4885

“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.