SCHEMBL1306099

SCHEMBL1306099

C[Si](C)(C)C#Cc1ccc(-c2ccc(C#C[Si](C)(C)C)cn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL27847429 0.98 GRM5 (0.39) GRM5CCR1CCR5CCR8HDAC6
SCHEMBL4914889 0.85 GRM5 (0.55) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL17366411 0.82 RAB9A (0.33) GRM5ATM
SCHEMBL31590228 0.81 CYP1A2 (0.35) GRM5CYP1A2CYP2C19
SCHEMBL503751 0.81 CYP1A2 (0.55) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL1914210 0.81 GRM5 (0.39) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL30583888 0.81 CYP1A2 (0.55) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL935789 0.79 CHRNB2 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30977145 0.79 GABRA1 (0.34) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL503292 0.79 MTOR (0.44)

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3067354-B1 SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES YEDA RES & DEV (IL) 2018-01-03 EP disclosed
US-9701784-B2 Supramolecular polymers derived from perylene-diimides YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-07-11 US disclosed
US-9701784-B2 Supramolecular polymers derived from perylene-diimides YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-07-11 US disclosed
US-9701784-B2 Supramolecular polymers derived from perylene-diimides YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-07-11 US disclosed
US-9623381-B2 Separation of nanoparticles YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-18 US disclosed
US-9623381-B2 Separation of nanoparticles YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-18 US disclosed
US-9623381-B2 Separation of nanoparticles YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-18 US disclosed
EP-3112013-A1 PERYLENE DIIMDE BASED MEMBRANE, PREPARATION AND RECYCLING THEREOF, AND USE FOR NANOPARTICLE SEPARATION THEREOF Yeda Research and Development Co. Ltd (IL) 2017-01-04 EP disclosed
EP-3067354-A1 SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES Yeda Research and Development Co. Ltd. (IL) 2016-09-14 EP disclosed
US-9406943-B2 Electrocatalysts using porous polymers and method of preparation UCHICAGO ARGONNE, LLC (US) 2016-08-02 US disclosed
US-8968886-B2 Doubly reduced perylene-diimides and supramolecular polymers derived from perylene-diimides YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2015-03-03 US disclosed
US-20130303769-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2013-11-14 US disclosed
US-20130303769-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2013-11-14 US disclosed
US-20130303769-A1 SEPARATION OF NANOPARTICLES YEDA RESEARCH AND DEVELOPMENT CO. LTD (IL) 2013-11-14 US disclosed
CN-102372748-A Three novel platinum (II) compound mechanical light-emitting color-changing and organic vapor light-emitting color-changing materials FUJIAN INST RES STR MATTER CAS 2012-03-14 CN disclosed
US-8053588-B2 organosilane compounds used as raw materials for synthesis of organosilicon polymer thin films, having a refractive-index controlling function, a light absorbing function, a light emitting function, and a charge transferring function KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-11-08 US disclosed
US-8053588-B2 organosilane compounds used as raw materials for synthesis of organosilicon polymer thin films, having a refractive-index controlling function, a light absorbing function, a light emitting function, and a charge transferring function KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-11-08 US disclosed
US-20110101276-A1 DOUBLY REDUCED PERYLENE-DIIMIDES AND SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES YEDA RESEARCH AND DEVELOPMENT CO.LTD (IL) 2011-05-05 US disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-20080227939-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US 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 (3 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-20080227939-A1 Organosilane compound and organosilica obtained therefrom CARM1, PRMT1, PRMT8 GRM5 503/4885CCR1 1330/4885CCR5 2401/4885
US-20110101276-A1 DOUBLY REDUCED PERYLENE-DIIMIDES AND SUPRAMOLECULAR POLYMERS DERIVED FROM PERYLENE-DIIMIDES NR2E3, NR2C2, NR0B2 GRM5 101/4885CCR1 1840/4885CCR5 1614/4885
US-20130303769-A1 SEPARATION OF NANOPARTICLES NCL, CD63, PARN GRM5 3299/4885CCR1 4535/4885CCR5 3522/4885

“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.