SCHEMBL578023

SCHEMBL578023

C[C](C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
POLB P06746 2/20 0.45
TRPA1 O75762 1/20 0.45
CTSD P07339 1/20 0.44
LMNA P02545 2/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL28445550 0.85 PTGS2 (0.52) CYP2D6ALDH1A1
SCHEMBL9806266 0.78 HPGD (0.48) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL396389 0.78 L3MBTL1 (0.56) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL17710384 0.76 L3MBTL1 (0.54) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL29024912 0.76 L3MBTL1 (0.54) L3MBTL1TDP1HDAC3HDAC4HDAC1
Bicarbonate SCHEMBL19031939 0.76 L3MBTL1 (0.54) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL15757563 0.76 ADRA2C (0.43) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL5013786 0.76 TDP1 (0.54) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL17600356 0.75 TDP1 (0.52) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL4882534 0.74 LMNA (0.56) TRPA1LMNAADRA2AADRA2CHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264972-B Method for preparing obeticholic acid 四川科伦药物研究院有限公司 2024-07-12 CN claimed
CN-118324823-A Heterofluorene rare earth compound, preparation method thereof and application thereof in olefin polymerization 中国科学院长春应用化学研究所 2024-07-12 CN claimed
WO-2023231529-A1 CHROMOPHORE COMPOUND AND PREPARATION METHOD THEREFOR, AND APPLICATION OF CHROMOPHORE COMPOUND 华为技术有限公司 2023-12-07 WO claimed
WO-2023152711-A1 PROCESS FOR THE PREPARATION OF CENOBAMATE AND INTERMEDIATES THEREOF METROCHEM API PVT LTD (IN) 2023-08-17 WO claimed
CN-116510698-A Adsorption material and preparation method and application thereof 中国石油化工股份有限公司 2023-08-01 CN claimed
CN-110862423-B Synthesis method of alpha-aryl galactosyl carbon glycoside and application of alpha-aryl galactosyl carbon glycoside in pharmacy 三峡大学 2023-05-02 CN claimed
US-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR LAURUS LABS LIMITED (IN) 2023-02-23 US claimed
EP-4099991-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR Laurus Labs Limited (IN) 2022-12-14 EP claimed
CN-113321616-A Method for synthesizing precursor of Alzheimer's disease beta-amyloid protein deposition imaging drug 江苏华益科技有限公司 2021-08-31 CN claimed
WO-2021156811-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR LAURUS LABS LIMITED (IN) 2021-08-12 WO claimed
US-6084079-A PROTECTING THE 2'-HYDROXY OR THE 2'- AND 11-HYDROXY POSITIONS WITH SILYL PROTECTING GROUPS AND ALKYLATING THE N-POSITION OF THE DESOSAMINE SUGAR; CHEMICAL INTERMEDIATES FOR PREPARATION OF 8,9-DIDEHYDRO-N-DEMETHYL-6,9-EPOXY-N-ALKYLERYTHROMYCINS ABBVIE INC. 2000-07-04 US claimed
WO-1999031114-A1 PROCESS FOR THE PREPARATION OF 6-O-METHYL ERYTHROMYCIN A USING 9-HYDROXY ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-24 WO claimed
EP-0165272-A1 HETEROCYCLIC SUBSTITUTED PENEMS SCHERING CORPORATION (US) 1985-12-27 EP claimed
EP-0144041-A1 Heterocyclic substituted penems SCHERING CORPORATION (US) 1985-06-12 EP claimed
WO-1985002403-A1 HETEROCYCLIC SUBSTITUTED PENEMS SCHERING CORP. (US) 1985-06-06 WO claimed
EP-0021626-B1 SALTS OF PHOSPHORIC ACID DIESTERS, THEIR PREPARATION AND USE IN MEMBRANES, THE MEMBRANES AND THEIR USE IN CALCIUM ION DETERMINATION, AND THE ELECTRODES CONTAINING THEM BECKMAN INSTRUMENTS, INC. (US) 1984-01-18 EP claimed
US-4369317-A CALCIUM ION SELECTIVE MEMBRANE BECKMAN INSTRUMENTS, INC. (US) 1983-01-18 US claimed
US-4338440-A CALCIUM ION SELECTIVE MEMBRANE COMPONENT BECKMAN INSTRUMENTS, INC. (US) 1982-07-06 US claimed
US-4271002-A Calcium ion-selective electrodes and membrane for use therein BECKMAN INSTRUMENTS, INC. (US) 1981-06-02 US claimed
EP-0021626-A1 Salts of phosphoric acid diesters, their preparation and use in membranes, the membranes and their use in calcium ion determination, and the electrodes containing them BECKMAN INSTRUMENTS, INC. (US) 1981-01-07 EP 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 (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-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR CYP3A4, CYP4A11, CYP3A43 L3MBTL1 4882/4885TDP1 1957/4885HDAC3 750/4885

“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.