SCHEMBL797367

SCHEMBL797367

CC1=C2c3ccccc3C1[Zr](Cl)(Cl)C1C(C)=C(c3ccccc31)[Si]2(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL5347817 0.84 PBRM1 (0.33) PBRM1TNKS2
SCHEMBL796322 0.79
SCHEMBL4453778 0.77 PTGS2 (0.33)
SCHEMBL797807 0.75 BCHE (0.36)
SCHEMBL4444119 0.74 ADRA2C (0.32) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL5087579 0.72 SLC6A4 (0.34)
Hydrochloric Acid SCHEMBL3354015 0.71 GPR3 (0.31) PBRM1TNKS2
Hydrochloric Acid SCHEMBL2568113 0.71 GPR3 (0.31) PBRM1TNKS2
SCHEMBL7194343 0.71 GPR3 (0.31) PBRM1TNKS2
Hydrochloric Acid SCHEMBL4275886 0.71 PBRM1 (0.33) PBRM1TNKS2

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 13 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
US-7531605-B2 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU KOSAN CO., LTD. (JP) 2009-05-12 US disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
EP-1375538-B1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU KOSAN CO (JP) 2008-01-09 EP disclosed
US-20040106738-A1 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1375538-A1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-01-02 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 PBRM1 3111/4885TNKS2 2791/4885HDAC3 1889/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 PBRM1 97/4885TNKS2 2517/4885HDAC3 405/4885

“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.