SCHEMBL796856

SCHEMBL796856

CCCC[Zr](CCCC)(C1C(c2cccc3ccccc23)=C(C)c2ccccc21)C1c2cc(OC)ccc2-c2c1ccc(OC)c2OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
CRHR1 P34998 2/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
MYB P10242 1/20 0.32
HIF1A Q16665 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 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
SCHEMBL7601535 0.86 HIF1A (0.34) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL797390 0.76 PGR (0.31) MEN1KMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL8606718 0.76 MAPT (0.34) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7627235 0.73 MYB (0.35) CNR2CRHR1MYB
SCHEMBL4622250 0.66 EDNRB (0.36) CNR2CRHR1
SCHEMBL796973 0.65 CRHR1 (0.36) CNR2CRHR1
SCHEMBL797705 0.63 ACHE (0.49)
SCHEMBL20101688 0.61 CYP1A2 (0.57) CRHR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14261566 0.60 CYP1A1 (0.41) CNR2CRHR1ALDH1A1KDM4EHPGD
SCHEMBL2698582 0.60 MAPT (0.51) ALDH1A1KDM4EMEN1KMT2AHPGD

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 6 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

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 CNR2 1020/4885CRHR1 295/4885ALDH1A1 591/4885

“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.