SCHEMBL797335

SCHEMBL797335

CC1=C2c3c(-c4ccccc4)cccc3C1[Zr](Cl)(Cl)C1C(C)=C(c3c(-c4ccccc4)cccc31)[Si]2(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL5067415 0.87 PDCD1 (0.31) PDCD1CD274
SCHEMBL797311 0.83
SCHEMBL7878204 0.82 PDCD1 (0.31) PDCD1CD274
SCHEMBL797367 0.81 PBRM1 (0.32)
SCHEMBL796296 0.80 PSMB5 (0.32)
SCHEMBL2800638 0.80 PTGS1 (0.33)
Chloromethane SCHEMBL7185377 0.78 PDCD1 (0.30) PDCD1CD274
SCHEMBL6065652 0.78 EDNRB (0.32)
SCHEMBL7719073 0.78 PDCD1 (0.30) PDCD1CD274
SCHEMBL1900079 0.77 PDCD1 (0.32) PDCD1CD274

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 PDCD1 2747/4885CD274 2241/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 PDCD1 3769/4885CD274 3589/4885

“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.