SCHEMBL797390

SCHEMBL797390

CCCC[Zr](CCCC)(C1C(c2cccc3ccccc23)=C(C)c2ccccc21)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL7598157 0.83 NPC1 (0.33) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL796856 0.76 CNR2 (0.33) LMNAMEN1HPGDKMT2A
SCHEMBL4622250 0.73 EDNRB (0.36)
Hydrochloric Acid SCHEMBL8604671 0.72 NPC1 (0.33) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL797705 0.71 ACHE (0.49) ADRA2AACHESLC6A2HTR2ASLC6A4
SCHEMBL796973 0.70 CRHR1 (0.36)
SCHEMBL8857104 0.65 NPC1 (0.42) PGRRORARORCRORBLMNA
SCHEMBL797801 0.63 CNR2 (0.33) SLC6A4SIGMAR1
SCHEMBL5050124 0.61 KIF11 (0.44) NR1I2LMNAADRA2ACYP2D6ACHE
SCHEMBL7607194 0.61 ALDH1A1 (0.46) LMNACYP2D6HTR2A

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 PGR 930/4885RORA 2141/4885RORC 2398/4885

“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.