SCHEMBL796900

SCHEMBL796900

CC1=C2c3c(ccc4ccccc34)C1[Zr](Cl)(Cl)C1C(C)=C(c3c1ccc1ccccc31)[Si]2(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
CYP2A6 P11509 4/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL796926 0.82 KDM4E (0.31) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL797664 0.79 TLR8 (0.30)
SCHEMBL7197061 0.77 ALDH1A1 (0.35) ALDH1A1CYP2A6KDM4ELMNAMAPK1
Hydrochloric Acid SCHEMBL4062027 0.75 ALDH1A1 (0.34) ALDH1A1CYP2A6KDM4ELMNAMAPK1
Hydrochloric Acid SCHEMBL1686826 0.75 ALDH1A1 (0.34) ALDH1A1CYP2A6KDM4ELMNAMAPK1
Hydrochloric Acid SCHEMBL16424248 0.75 ALDH1A1 (0.34) ALDH1A1CYP2A6KDM4ELMNAMAPK1
SCHEMBL5355719 0.74 ALDH1A1 (0.33) ALDH1A1CYP2A6KDM4ELMNAMAPK1
SCHEMBL7599708 0.72 KDM4E (0.31) ALDH1A1CYP2A6KDM4ELMNAMAPK1
SCHEMBL797367 0.72 PBRM1 (0.32)
SCHEMBL7889132 0.69 TDP1 (0.31) TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785671-B2 6,13-dihalogen-5,14-dihydropentacene derivative and method for producing 6,13-substituted-5,14-dihydropentacene derivative using same NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2014-07-22 US disclosed
US-20130079530-A1 6,13-DIHALOGEN-5,14-DIHYDROPENTACENE DERIVATIVE AND METHOD FOR PRODUCING 6,13-SUBSTITUTED-5,14-DIHYDROPENTACENE DERIVATIVE USING SAME NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY 2013-03-28 US disclosed
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 (2 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-20130079530-A1 6,13-DIHALOGEN-5,14-DIHYDROPENTACENE DERIVATIVE AND METHOD FOR PRODUCING 6,13-SUBSTITUTED-5,14-DIHYDROPENTACENE DERIVATIVE USING SAME DHCR7, DHCR24, DHPS ALDH1A1 2629/4885CYP2A6 37/4885KDM4E 2270/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 ALDH1A1 591/4885CYP2A6 822/4885KDM4E 1200/4885

“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.