SCHEMBL2554463

SCHEMBL2554463

CCCc1ccc(CC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
CA2 P00918 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LPL P06858 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
MGLL Q99685 1/20 0.45
PLK1 P53350 1/20 0.45
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
POLB P06746 3/20 0.40
CTDSP1 Q9GZU7 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.39

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
SCHEMBL14113055 0.88 THRB (0.50) THRBCA2L3MBTL1LPLLIPG
SCHEMBL5394263 0.86 ALDH1A1 (0.53) THRBCA2PLK1ALDH1A1KDM4E
SCHEMBL910882 0.83 THRB (0.47) THRBCA2L3MBTL1LPLLIPG
SCHEMBL11141986 0.82 ESR1 (0.59) THRBCA2LPLLIPGMGLL
SCHEMBL26660483 0.82 ESR1 (0.59) THRBCA2LPLLIPGMGLL
SCHEMBL28400146 0.82 ESR1 (0.59) THRBCA2LPLLIPGMGLL
SCHEMBL6364651 0.81 MAOB (0.40) THRBALDH1A1KMT2A
SCHEMBL142480 0.81 LPL (0.62) THRBCA2L3MBTL1LPLLIPG
SCHEMBL28578535 0.79 TSHR (0.48) THRBCA2L3MBTL1LPLLIPG
SCHEMBL2557761 0.79 ALDH1A1 (0.46) CA2L3MBTL1LPLLIPGMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403459-B Preparation method of 1, 4-dicarbonyl compound 广州自远生物科技有限公司 2024-02-27 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed
EP-0945418-B1 LIQUID CRYSTAL COMPOUNDS EXHIBITING NEGATIVE ANISOTROPY OF PERMITTIVITY, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CHISSO CORP (JP) 2004-04-07 EP disclosed
US-6210761-B1 HIGH VOLTAGE HOLDING RATIO AND A LOW THRESHOLD VOLTAGE, ARE REMARKABLY SMALL IN THEIR DEPENDENCY ON TEMPERATURE, HARDLY EXHIBIT SMECTIC PHASE, AND ARE EXCELLENT IN MISCIBILITY WITH OTHER LIQUID CRYSTAL MATERIALS CHISSO CORPORATION (JP) 2001-04-03 US disclosed
EP-0945418-A1 LIQUID CRYSTAL COMPOUNDS EXHIBITING NEGATIVE ANISOTROPY OF PERMITTIVITY, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CHISSO CORPORATION (JP) 1999-09-29 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 (1 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-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 THRB 1792/4885CA2 22/4885L3MBTL1 1697/4885

“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.