SCHEMBL695229

SCHEMBL695229

CCCCc1[c]nccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH2 Q12809 1/20 0.34
TLR8 Q9NR97 2/20 0.34
TRPV1 Q8NER1 3/20 0.34
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
CASP3 P42574 2/20 0.32
RAB9A P51151 2/20 0.32
SENP8 Q96LD8 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP6 Q9GZR1 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 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
SCHEMBL239455 0.94 TDP1 (0.46) L3MBTL1TDP1KCNH2TLR8TRPV1
SCHEMBL4584095 0.92 TDP1 (0.44) L3MBTL1TDP1KCNH2TRPV1ALDH1A1
SCHEMBL4585040 0.92 TDP1 (0.44) L3MBTL1TDP1KCNH2TRPV1ALDH1A1
SCHEMBL15344545 0.92 TDP1 (0.44) L3MBTL1TDP1KCNH2TRPV1ALDH1A1
SCHEMBL4586892 0.92 TDP1 (0.44) L3MBTL1TDP1KCNH2TRPV1ALDH1A1
SCHEMBL4585106 0.92 TDP1 (0.44) L3MBTL1TDP1KCNH2TRPV1ALDH1A1
SCHEMBL9013118 0.92 TDP1 (0.44) L3MBTL1TDP1KCNH2TRPV1ALDH1A1
SCHEMBL4585397 0.92 TDP1 (0.44) L3MBTL1TDP1KCNH2TRPV1ALDH1A1
SCHEMBL4584429 0.92 TDP1 (0.44) L3MBTL1TDP1KCNH2TRPV1ALDH1A1
SCHEMBL4586718 0.92 TDP1 (0.44) L3MBTL1TDP1KCNH2TRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206886-B Gold (III) compound, method for preparing the same, and organic light emitting device using the same 广东聚华印刷显示技术有限公司 2024-02-27 CN claimed
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2023-03-30 US claimed
EP-3992357-A1 COMPOSITION FOR SURFACE TREATMENT OF FIBERS AND FIBER TREATMENT METHOD Beijing University of Chemical Technology (CN) 2022-05-04 EP claimed
CN-114206886-A Luminescent gold (III) compound, method for preparing same, and organic light emitting device using same 广东聚华印刷显示技术有限公司 2022-03-18 CN claimed
WO-2021113492-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2021-06-10 WO claimed
WO-2021016814-A1 LUMINESCENT GOLD (III) COMPOUND, METHOD FOR PREPARING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME GUANGDONG JUHUA PRINTED DISPLAY TECHNOLOGY CO., LTD. (CN) 2021-02-04 WO claimed
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 EP claimed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US claimed
US-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 US claimed
CN-100494182-C Regulatory factor of tumor necrosis alpha factor GENZYME CORP (US) 2009-06-03 CN claimed
US-7372071-B2 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2008-05-13 US claimed
US-20070260069-A1 Functionalized heteroacenes XEROX CORPORATION 2007-11-08 US claimed
US-20070235721-A1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
US-6969728-B2 Antiinflammatory agents GENZYME CORPORATION (US) 2005-11-29 US claimed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
CN-1441787-A Modulators of TNF-alpha signaling GENZYME CORP (US) 2003-09-10 CN claimed
EP-1294699-A2 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORPORATION (US) 2003-03-26 EP claimed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 US claimed
WO-2001087849-A2 MODULATORS OF TNF- ALPHA SIGNALING GENZYME CORPORATION (US) 2001-11-22 WO claimed
US-4900749-A Isoprenoidamine compounds useful as antiulcer agents SHIONOGI & CO., LTD. (JP) 1990-02-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070260069-A1 Functionalized heteroacenes SOD1, AHR, NR0B2 L3MBTL1 1684/4885TDP1 3945/4885KCNH2 1459/4885
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME PLK1, DCK, CSNK1A1 L3MBTL1 4831/4885TDP1 2280/4885KCNH2 2793/4885
US-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 L3MBTL1 4750/4885TDP1 3193/4885KCNH2 4618/4885
US-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 L3MBTL1 1295/4885TDP1 915/4885KCNH2 393/4885

“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.